SCHEMBL3758304

SCHEMBL3758304

CC1(C)OB(c2cc(F)cc(N3CCN(C(=O)O)CC3)c2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 7/20 0.42
TTR P02766 1/20 0.37
ROCK1 Q13464 1/20 0.37
ADAMTS4 O75173 2/20 0.37
LMNA P02545 3/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
MMP2 P08253 1/20 0.35
AKR1C3 P42330 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A7 Q99884 1/20 0.34
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL3758659 0.84 MAPT (0.46) ADAMTS5LMNATSHRHTTSMN1; SMN2
SCHEMBL14158793 0.83 HTT (0.42) ADAMTS5ADAMTS4LMNAMAPK1KDM4E
Carbamic Acid SCHEMBL3748172 0.83 MAPT (0.43) ADAMTS5LMNATSHRHTTSMN1; SMN2
SCHEMBL14158883 0.83 LPL (0.41) ADAMTS5ROCK1TSHRMAPK1KDM4E
SCHEMBL3762977 0.82 FFAR4 (0.38) ADAMTS5ROCK1LMNAFFAR4
SCHEMBL16390870 0.81 CHRM2 (0.35) ADAMTS5TTRROCK1FFAR4SLC6A7
SCHEMBL901893 0.81 USP2 (0.42) ROCK1LMNATSHRMAPK1HTT
SCHEMBL578443 0.80 LIPG (0.44) TSHRHTTLPLLIPGAKR1C3
SCHEMBL3758794 0.80 LPL (0.40) LMNAMAPK1KDM4EHTTSMN1; SMN2
SCHEMBL901663 0.80 ADAMTS5 (0.38) ADAMTS5ROCK1LMNATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117355522-A PKC-theta modulators 爱智药人工智能有限公司 2024-01-05 CN disclosed
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 US disclosed
EP-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 EP disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-05 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
EP-2200436-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2010-06-30 EP disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 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 (3 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-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 ADAMTS5 4678/4885TTR 3826/4885ROCK1 859/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 ADAMTS5 4678/4885TTR 3826/4885ROCK1 859/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 ADAMTS5 4678/4885TTR 3826/4885ROCK1 859/4885

“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.