SCHEMBL2301583

SCHEMBL2301583

COC(=O)c1occc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
TSHR P16473 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CFTR P13569 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL30740682 0.87 KMT2A (0.40) TSHRKDM4ELMNAALDH1A1MAPK1
SCHEMBL11253382 0.80 KMT2A (0.43) MAPTLMNAALDH1A1MAPK1HSD17B10
SCHEMBL2301987 0.77 MAPT (0.38) MAPTTSHRKDM4ELMNAFGFR1
SCHEMBL43076 0.75 KDM4E (0.53) MAPTTSHRKDM4ELMNAALDH1A1
SCHEMBL69723 0.75 HSD17B10 (0.44) MAPTTSHRKDM4ELMNAALDH1A1
SCHEMBL20101950 0.74 KDM4E (0.41) MAPTTSHRKDM4ELMNAALDH1A1
SCHEMBL11245387 0.74 KEAP1 (0.37) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL28296968 0.74 CA12 (0.42) TSHRKDM4ELMNAALDH1A1CHRM2
SCHEMBL2417181 0.73 CHRNB2 (0.41) MAPTTSHRKDM4EALDH1A1KMT2A
SCHEMBL22068300 0.73 CHRNA4 (0.48) MAPTTSHRKDM4ELMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
EP-2350092-A1 METHYLENE AMINES OF THIENO Ý2,3-D¨PYRIMIDINE AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2011-08-03 EP disclosed
WO-2010045008-A1 AMIDES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
WO-2010045009-A1 PHENYL AND HETEROARYL SUBSTITUTED THIENO[2,3-d] PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
WO-2010045006-A1 METHYLENE AMINES OF THIENO [2,3-D] PYRIMIDINE AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 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 (1 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-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 MAPT 184/4885TSHR 2274/4885KDM4E 786/4885

“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.