SCHEMBL21395540

SCHEMBL21395540

Cc1cc(C=O)c(N)c(OCc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MGMT P16455 4/20 0.44
CDK1 P06493 2/20 0.44
CCNB1 P14635 2/20 0.44
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
CCNA1 P78396 2/20 0.44
LMNA P02545 2/20 0.43
ATP4A P20648 1/20 0.42
ATP4B P51164 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NUDT1 P36639 1/20 0.40
STAT3 P40763 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ERN1 O75460 1/20 0.39
CYP3A4 P08684 3/20 0.39
MPO P05164 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
SCHEMBL4279550 0.80 L3MBTL1 (0.54) TSHRL3MBTL1MGMTCDK1CCNB1
SCHEMBL21379350 0.78 TSHR (0.46) TSHRL3MBTL1MGMTCDK1CCNB1
SCHEMBL3187563 0.77 L3MBTL1 (0.48) TSHRL3MBTL1LMNAMAOAMAOB
SCHEMBL6639484 0.76 MAPT (0.50) L3MBTL1CDK1CCNB1LMNASTAT3
SCHEMBL17372897 0.75 L3MBTL1 (0.46) TSHRL3MBTL1LMNAATP4AATP4B
SCHEMBL15814853 0.75 TSHR (0.46) TSHRL3MBTL1MGMTCDK1CCNB1
SCHEMBL15088087 0.74 L3MBTL1 (0.44) TSHRL3MBTL1CDK1CCNB1LMNA
SCHEMBL9338308 0.74 L3MBTL1 (0.48) TSHRL3MBTL1MGMTCDK1CCNB1
SCHEMBL17372893 0.74 L3MBTL1 (0.47) L3MBTL1LMNASTAT3HTTSMN1; SMN2
SCHEMBL13313398 0.73 MGMT (0.42) TSHRL3MBTL1MGMTCDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 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 (2 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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 TSHR 1832/4885L3MBTL1 1728/4885MGMT 4240/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 TSHR 1191/4885L3MBTL1 1998/4885MGMT 4059/4885

“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.