SCHEMBL901893

SCHEMBL901893

CC1(C)OB(c2cccc(N3CCN(C(=O)O)CC3)c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
AKR1C3 P42330 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
ROCK1 Q13464 1/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL22816582 0.90 USP2 (0.46) USP2MAPTMAPK1TSHRHTR1A
SCHEMBL14322316 0.86 PDK2 (0.46) MAPTMAPK1LMNAHTR1AHTR2A
SCHEMBL14322015 0.86 PDK2 (0.45) MAPTMAPK1LMNATSHRHTR1A
SCHEMBL14322315 0.86 ALDH1A1 (0.46) MAPTTSHRHTR1AHTR7MEN1
SCHEMBL14322646 0.85 ALDH1A1 (0.49) MAPTLMNAMEN1KMT2ACA12
SCHEMBL578443 0.84 LIPG (0.44) USP2TSHRAKR1C3MEN1KMT2A
SCHEMBL521045 0.83 GPR119 (0.51) MAPTLMNATSHRMEN1KMT2A
SCHEMBL29384737 0.83 GPR119 (0.51) MAPTLMNATSHRMEN1KMT2A
SCHEMBL31298214 0.82 ADRA2C (0.51) MAPTMAPK1HTR1AHTR2AHTR7
SCHEMBL2940900 0.82 ADRA2C (0.51) MAPTMAPK1HTR1AHTR2AHTR7

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11135209-B2 Compositions and methods for inhibiting protein kinases UNIVERSITY OF HOUSTON SYSTEM (US) 2021-10-05 US disclosed
EP-3600307-B1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES UNIV HOUSTON SYSTEM (US) 2021-05-05 EP disclosed
EP-3768675-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Yuhan Corporation (KR) 2021-01-27 EP disclosed
EP-3768663-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Yuhan Corporation (KR) 2021-01-27 EP disclosed
EP-3600307-A1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES University of Houston System (US) 2020-02-05 EP disclosed
US-20200030303-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN KINASES UNIVERSITY OF HOUSTON SYSTEM (US) 2020-01-30 US disclosed
WO-2019180646-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2019-09-26 WO disclosed
WO-2019180644-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2019-09-26 WO disclosed
WO-2018183633-A1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES UNIVERSITY OF HOUSTON SYSTEM (US) 2018-10-04 WO disclosed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 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 (2 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-11135209-B2 Compositions and methods for inhibiting protein kinases RIPK2, RIPK1, NOD2 USP2 883/4885MAPT 3141/4885MAPK1 221/4885
US-20200030303-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN KINASES RIPK2, RIPK1, NOD2 USP2 883/4885MAPT 3141/4885MAPK1 221/4885

“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.