SCHEMBL22434750

SCHEMBL22434750

Cc1cc2cccc(C#N)c2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.39
▸ KDM4E B2RXH2 5/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CMA1 P23946 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PSMB8 P28062 1/20 0.35
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ BRD1 O95696 1/20 0.34

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
SCHEMBL18000401 0.82 CMA1 (0.35) CMA1BRD1BRPF1
SCHEMBL28264568 0.81 CA1 (0.40) TSHRKDM4EALDH1A1USP2CLK1
SCHEMBL30547820 0.78 PPARG (0.36) TSHRKDM4EALDH1A1USP2CLK1
SCHEMBL20504911 0.78 KDM4E (0.33) TSHRKDM4EALDH1A1USP2CLK1
SCHEMBL28779645 0.76 MCL1 (0.51) TSHRKDM4EALDH1A1NOTUMHPGD
SCHEMBL15971031 0.76 NOTUM (0.44) TSHRKDM4ECA1CA2NOTUM
SCHEMBL24496732 0.75 NOTUM (0.33) TSHRNOTUMALOX15CASP1CASP7
SCHEMBL1092872 0.75 ALKBH5 (0.42) KDM4EALDH1A1USP2L3MBTL1CMA1
SCHEMBL24246102 0.74 NOTUM (0.30) NOTUM
SCHEMBL18223168 0.72 KDM4E (0.41) TSHRKDM4EALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-02-08 — — US disclosed
US-20200289507-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2020-09-17 — — US disclosed
CN-110511209-A It can be used as the indole carboxamides compound of kinase inhibitor BRISTOL MYERS SQUIBB CO 2019-11-29 — — CN disclosed
CN-107108583-A Indole carboxamide compounds useful as kinase inhibitors 百时美施贵宝公司 2017-08-29 — — CN 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-20200289507-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 TSHR 325/4885KDM4E 2755/4885ALDH1A1 761/4885
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 TSHR 325/4885KDM4E 2755/4885ALDH1A1 761/4885

“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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