SCHEMBL7127572

SCHEMBL7127572

Cc1ncn(-c2cccc(N)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
CASP1 P29466 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALOX15 P16050 1/20 0.49
CASP7 P55210 1/20 0.49
KMT2A Q03164 1/20 0.49
ADRA2C P18825 1/20 0.42
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
CYP3A4 P08684 3/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RECQL P46063 1/20 0.37
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 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
SCHEMBL16202014 0.82 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL21863282 0.79 KEAP1 (0.47) KMT2A
SCHEMBL30186345 0.79 FGFR1 (0.44) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL16202012 0.79 NOTUM (0.47) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL719952 0.78 MAPK10 (0.42) MAPTCASP1ALDH1A1KDM4EMEN1
SCHEMBL21863285 0.78 NOTUM (0.51) MAPTALDH1A1TP53SMN1; SMN2TSHR
SCHEMBL16202016 0.78 MAPK8 (0.42) MAPTALDH1A1MEN1KMT2AMAPK8
SCHEMBL7044640 0.77 HPGD (0.49) MAPTALDH1A1KDM4EMEN1ALOX15
SCHEMBL24656154 0.77 NOTUM (0.40) CYP3A4PSEN1PSEN2APH1BNCSTN
SCHEMBL25532530 0.77 MGLL (0.45) ALDH1A1MEN1ALOX15KMT2AMAPK8

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-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 MAPT 3896/4885CASP1 2930/4885ALDH1A1 2482/4885

“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.