SCHEMBL22304201

SCHEMBL22304201

CCc1ccnc2ccc(C(N)=O)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
IP6K1 Q92551 1/20 0.42
MET P08581 1/20 0.42
AXL P30530 1/20 0.42
MERTK Q12866 1/20 0.42
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.40
PDE5A O76074 1/20 0.40
PARP10 Q53GL7 1/20 0.40
TGFB1 P01137 1/20 0.40
CHEK2 O96017 4/20 0.40
AR P10275 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL25820137 0.85 HRH4 (0.48) KDM4EMTNR1AMTNR1BIP6K1MET
SCHEMBL19657531 0.82 PLK1 (0.55) MTNR1AMTNR1BIP6K1METAXL
SCHEMBL19657956 0.82 ALOX15 (0.55) KDM4EMTNR1AMTNR1B
SCHEMBL21620547 0.81 KDM4E (0.47) KDM4EIP6K1METAXLMERTK
SCHEMBL27597844 0.79 LCK (0.44) KDM4EIP6K1METAXLMERTK
SCHEMBL6202783 0.79 SMYD3 (0.56) KDM4EIP6K1METAXLMERTK
SCHEMBL26317961 0.78 KDM4E (0.55) KDM4EMETAXLMERTKMAPK1
SCHEMBL7230935 0.78 MAP4K4 (0.43) KDM4EIP6K1METAXLMERTK
SCHEMBL16621441 0.77 TGFBR1 (0.39) KDM4EMETAXLMERTKKMT2A
SCHEMBL22304443 0.77 KDM4E (0.43) KDM4EIP6K1METAXLMERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-08-06 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-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ACVR1, ACVRL1, ALK KDM4E 998/4885MTNR1A 2207/4885MTNR1B 1353/4885

“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.