SCHEMBL16002995

SCHEMBL16002995

CNC1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 2/20 0.55
▸ SIGMAR1 Q99720 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ CNR1 P21554 1/20 0.51
▸ SYK P43405 1/20 0.49
▸ PRCP P42785 1/20 0.48
▸ SCD O00767 1/20 0.48
▸ LIPE Q05469 4/20 0.47
▸ WNT3 P56703 1/20 0.44
▸ SFRP1 Q8N474 1/20 0.44
▸ CARM1 Q86X55 1/20 0.44
▸ PRMT6 Q96LA8 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ EPHX2 P34913 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ POLQ O75417 1/20 0.43
▸ C3AR1 Q16581 1/20 0.43

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
SCHEMBL13826421 0.88 RBP4 (0.53) RBP4SIGMAR1POLBCNR1SYK
SCHEMBL16689582 0.81 RBP4 (0.73) RBP4PRCP
SCHEMBL16003000 0.81 MAPK1 (0.59) SIGMAR1POLBSYKKDM4EALDH1A1
SCHEMBL13825972 0.79 KDM4E (0.64) SIGMAR1KDM4E
SCHEMBL27491505 0.78 RBP4 (0.60) RBP4SIGMAR1POLBCNR1PRCP
SCHEMBL8671332 0.78 RBP4 (0.60) RBP4SIGMAR1POLBCNR1PRCP
SCHEMBL16002994 0.78 SYK (0.47) SYKKDM4EALDH1A1EPHX2C3AR1
SCHEMBL22605908 0.77 HRH3 (0.58) SIGMAR1CNR1EPHX2
SCHEMBL24011148 0.77 RAB9A (0.54) SIGMAR1POLBALDH1A1EPHX2
SCHEMBL24011242 0.76 SIGMAR1 (0.46) RBP4SIGMAR1POLBLIPEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145391-B2 Bipyridylaminopyridines as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2015-09-29 — — US disclosed
US-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-09-04 — — 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 (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-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS SYK, BTK, LCK RBP4 4832/4885SIGMAR1 2509/4885POLB 1761/4885

“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.

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