SCHEMBL23160976

SCHEMBL23160976

Cc1cc(N2CCC(N(C)C)C2)c2cc(C#N)c3nc4ccccc4n3c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ HRH1 P35367 4/20 0.41
▸ KCNH2 Q12809 4/20 0.41
▸ GAA P10253 4/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GLA P06280 4/20 0.39
▸ CYP2D6 P10635 2/20 0.38
▸ CHEK2 O96017 3/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.37
▸ ACVR1 Q04771 1/20 0.37
▸ MAPK8 P45983 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ MRGPRX2 Q96LB1 1/20 0.36

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
SCHEMBL18057418 1.00 KDM4E (0.41) KDM4EALDH1A1HRH1KCNH2GAA
SCHEMBL18057422 1.00 KDM4E (0.41) KDM4EALDH1A1HRH1KCNH2GAA
SCHEMBL22348881 0.88 KDM1A (0.36) HRH1KCNH2CHRM1NSD2MAPK8
SCHEMBL18057438 0.87 HRH1 (0.40) KDM4EALDH1A1HRH1KCNH2GAA
SCHEMBL17254934 0.87 HRH1 (0.40) KDM4EALDH1A1HRH1KCNH2GAA
SCHEMBL23161470 0.87 HRH1 (0.40) KDM4EALDH1A1HRH1KCNH2GAA
SCHEMBL17254919 0.84 DPP4 (0.44) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL18057428 0.84 DPP4 (0.44) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL18042600 0.82 KDM4E (0.46) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL18059235 0.81 KDM4E (0.43) KDM4EALDH1A1GAAHPGDTSHR

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-20210094952-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2021-04-01 — — 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-20210094952-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885ALDH1A1 3544/4885HRH1 4375/4885

“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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