SCHEMBL1707795

SCHEMBL1707795

Cc1cc(Br)cnc1N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
OPRK1 P41145 1/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.43
KHK P50053 1/20 0.43
LRRK2 Q5S007 1/20 0.42
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TRPV3 Q8NET8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40

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
SCHEMBL14376028 0.83 ALDH1A1 (0.45) ALDH1A1OPRK1HPGDKHKLRRK2
SCHEMBL2366907 0.81 HRH4 (0.48) TSHRCYP1A2MEN1KMT2A
SCHEMBL30593370 0.81 HRH4 (0.48) ALDH1A1CYP1A2CYP2C19SMN1; SMN2MEN1
SCHEMBL2710577 0.80 KDM4E (0.46) ALDH1A1MAPK1OPRK1HPGDTSHR
SCHEMBL1707909 0.80 KDM4E (0.51) ALDH1A1MAPK1OPRK1HPGDTSHR
SCHEMBL2144542 0.80 KDM4E (0.46) ALDH1A1HPGDTSHRKHKLRRK2
SCHEMBL31195824 0.80 KDM4E (0.51) ALDH1A1MAPK1OPRK1HPGDTSHR
SCHEMBL18307138 0.80 ALDH1A1 (0.43) ALDH1A1MAPK1HPGDTSHRKHK
SCHEMBL21262656 0.80 KDM4E (0.47) ALDH1A1MAPK1HPGDTSHRKHK
SCHEMBL28663339 0.80 ALDH1A1 (0.43) ALDH1A1MAPK1HPGDTSHRKHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216378-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2024-07-04 US disclosed
US-20240216378-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2024-07-04 US disclosed
US-20240216378-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2024-07-04 US disclosed
US-11931363-B2 Triazolopyrimidine compounds and uses thereof NOVARTIS AG (CH) 2024-03-19 US disclosed
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
WO-2023131271-A1 PYRROLE FUSED-RING PYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2023-07-13 WO disclosed
US-20230033320-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH (CN) 2023-02-02 US disclosed
US-11207325-B2 Triazolopyrimidine compounds and uses thereof NOVARTIS AG (CH) 2021-12-28 US disclosed
US-20200323859-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH CO., LTD. (CN) 2020-10-15 US disclosed
EP-3722284-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2020-10-14 EP disclosed
US-9580437-B2 Triazolopyrimidine compounds and uses thereof NOVARTIS AG (CH) 2017-02-28 US disclosed
WO-2016103155-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2016-06-30 WO disclosed
US-20160176882-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2016-06-23 US disclosed
US-20160176882-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2016-06-23 US disclosed
US-20160176882-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2016-06-23 US disclosed
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US 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 (8 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-11931363-B2 Triazolopyrimidine compounds and uses thereof EZH2, DOT1L, EED ALDH1A1 529/4885MAPK1 690/4885OPRK1 4678/4885
US-11207325-B2 Triazolopyrimidine compounds and uses thereof EZH2, DOT1L, EED ALDH1A1 529/4885MAPK1 690/4885OPRK1 4678/4885
US-20200323859-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, EED ALDH1A1 529/4885MAPK1 690/4885OPRK1 4678/4885
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 ALDH1A1 337/4885MAPK1 2996/4885OPRK1 1/4885
US-20240216378-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, EED ALDH1A1 529/4885MAPK1 690/4885OPRK1 4678/4885
US-20160176882-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, EED ALDH1A1 529/4885MAPK1 690/4885OPRK1 4678/4885
US-20230033320-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, EED ALDH1A1 529/4885MAPK1 690/4885OPRK1 4678/4885
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R ALDH1A1 3930/4885MAPK1 326/4885OPRK1 1085/4885

“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.