SCHEMBL8004661

SCHEMBL8004661

CCNC(=O)c1cnc2cc(C)cnc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.53
▸ CNR1 P21554 1/20 0.40
▸ CDK8 P49336 1/20 0.39
▸ BRD4 O60885 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL8001356 0.82 HPGDS (0.70) HPGDSCNR1HDAC3HDAC1HDAC2
SCHEMBL5426126 0.78 HCAR2 (0.56) HPGDSKDM4EPOLB
SCHEMBL7992224 0.75 CYP2C9 (0.53) MEN1KMT2ANPC1RAB9A
SCHEMBL10174189 0.73 CNR1 (0.42) HPGDSCNR1KDM4ENPC1
SCHEMBL2960085 0.72 ALDH1A1 (0.57) HPGDSMEN1KMT2AMAPK1KDM4E
SCHEMBL18616974 0.72 CNR1 (0.41) HPGDSCNR1KMT2AHDAC1
SCHEMBL13614180 0.72 MEN1 (0.66) TP53MEN1KMT2AKDM4EHDAC3
SCHEMBL23366147 0.72 HPGDS (0.45) HPGDSCDK8BRD4TP53HDAC3
SCHEMBL12670576 0.72 HPGDS (0.48) HPGDSCNR1CDK8BRD4TP53
SCHEMBL5431621 0.71 KDM4E (0.67) HPGDSKMT2AKDM4EHDAC1POLB

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-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 — — US disclosed
WO-2009151991-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 — — 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-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 HPGDS 196/4885CNR1 33/4885CDK8 1404/4885

“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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