SCHEMBL11977005

SCHEMBL11977005

CC(C)c1ccc(N2CCC(O)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
RORC P51449 4/20 0.47
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
PANK3 Q9H999 3/20 0.43
MAPT P10636 4/20 0.43
MAPK1 P28482 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
ALOX15 P16050 2/20 0.43
ALOX12 P18054 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
USP2 O75604 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24352423 0.89 CCR6 (0.49) HRH3RORCALDH1A1LMNACCR6
SCHEMBL24352429 0.89 CCR6 (0.49) HRH3RORCALDH1A1LMNACCR6
SCHEMBL23707092 0.86 RORC (0.45) HRH3RORCALDH1A1MAPTL3MBTL1
SCHEMBL10147276 0.83 USP2 (0.54) HRH3ALDH1A1LMNAPANK3MAPT
SCHEMBL15187981 0.83 HRH3 (0.50) HRH3ALDH1A1LMNAPANK3MAPT
SCHEMBL20004338 0.83 HRH3 (0.50) HRH3ALDH1A1LMNAPANK3MAPT
SCHEMBL11984262 0.83 RORC (0.46) HRH3RORCALDH1A1LMNASMN1; SMN2
SCHEMBL20251137 0.82 MAPT (0.51) HRH3ALDH1A1LMNAPANK3MAPT
SCHEMBL10118804 0.81 HRH3 (0.49) HRH3ALDH1A1LMNAPANK3MAPT
SCHEMBL13929499 0.81 HTR6 (0.52) HRH3ALDH1A1LMNAPANK3MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. 2023-04-20 US disclosed
US-20230062712-A1 ANTI-ASGR1 ANTIBODY CONJUGATES AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2023-03-02 US disclosed
US-11541126-B1 Anti-ASGR1 antibody TLR8 agonist comprising conjugates and uses thereof SILVERBACK THERAPEUTICS, INC. (US) 2023-01-03 US disclosed
US-20220305016-A1 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS FOR TREATING OSTEOPOROSIS THE GENERAL HOSPITAL CORPORATION (US) 2022-09-29 US disclosed
US-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-06-02 US disclosed
US-20220133736-A1 USES OF PYRIMIDOPYRIMIDINONES AS SIK INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2022-05-05 US disclosed
US-20220119395-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-04-21 US disclosed
EP-3949969-A2 BENZAZEPINE COMPOUNDS, CONJUGATES, AND USES THEREOF Silverback Therapeutics, Inc. (US) 2022-02-09 EP disclosed
US-20170042905-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-16 US disclosed
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2016-08-11 US disclosed
US-9345719-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2016-05-24 US disclosed
US-8957065-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD (KR) 2015-02-17 US disclosed
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2015-02-12 US disclosed
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD. (KR) 2013-05-09 US disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220119395-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 HRH3 3296/4885RORC 129/4885ALDH1A1 543/4885
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP HRH3 3983/4885RORC 1493/4885ALDH1A1 1780/4885
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, LTK, FYN HRH3 1824/4885RORC 652/4885ALDH1A1 3955/4885
US-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 HRH3 387/4885RORC 3772/4885ALDH1A1 4740/4885
US-20220133736-A1 USES OF PYRIMIDOPYRIMIDINONES AS SIK INHIBITORS SIK2, SIK1, SIK3 HRH3 2951/4885RORC 2762/4885ALDH1A1 1744/4885
US-20230062712-A1 ANTI-ASGR1 ANTIBODY CONJUGATES AND USES THEREOF ASGR1, HAVCR2, FCGR2A HRH3 879/4885RORC 362/4885ALDH1A1 1746/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 HRH3 387/4885RORC 3772/4885ALDH1A1 4740/4885
US-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, VHL HRH3 1140/4885RORC 1152/4885ALDH1A1 2242/4885
US-20220305016-A1 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS FOR TREATING OSTEOPOROSIS SOST, SIK2, SIK1 HRH3 1609/4885RORC 1726/4885ALDH1A1 4790/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP HRH3 3983/4885RORC 1493/4885ALDH1A1 1780/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 HRH3 1748/4885RORC 699/4885ALDH1A1 3912/4885
US-20170042905-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto PTGER2, PTGES2, PTGER1 HRH3 948/4885RORC 237/4885ALDH1A1 1095/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 HRH3 1748/4885RORC 699/4885ALDH1A1 3912/4885
US-11541126-B1 Anti-ASGR1 antibody TLR8 agonist comprising conjugates and uses thereof ASGR1, TLR8, HAVCR2 HRH3 676/4885RORC 332/4885ALDH1A1 2458/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.