SCHEMBL6630735

SCHEMBL6630735

CN(C)Cc1cn(Cc2c(Cl)cccc2Cl)c2c(C3CC3)cc3nc(N)nc(N)c3c12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DCPS Q96C86 8/20 0.43
▸ DHFR P00374 4/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL6631095 0.82 DCPS (0.38) DCPSNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6630767 0.72 F2R (0.46) DCPSHTT
SCHEMBL6795053 0.71 F2R (0.48) DCPSALDH1A1HTT
SCHEMBL6630676 0.71 HTT (0.35) DCPSHTT
SCHEMBL6630460 0.62 CYP1A2 (0.38) ALDH1A1
SCHEMBL6630874 0.60 TRPM5 (0.35) ALDH1A1HTT
SCHEMBL2166498 0.57 DCPS (1.00) DCPSDHFR
SCHEMBL6629445 0.57 DCPS (0.40) DCPSNPC1ALDH1A1RAB9A
SCHEMBL8390061 0.56 DHFR (0.66) DCPSDHFR
SCHEMBL30912751 0.56 DHFR (0.66) DCPSDHFR

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
EP-1370560-B1 AMINOMETHYL-PYRROLOQUINAZOLINE COMPOUNDS AS THROMBIN RECEPTOR ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2004-11-10 — — EP claimed
US-20020160963-A1 Aminomethyl-pyrroloquinazoline compounds as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-10-31 — — US claimed
EP-1370560-B1 AMINOMETHYL-PYRROLOQUINAZOLINE COMPOUNDS AS THROMBIN RECEPTOR ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2004-11-10 — — EP 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-20020160963-A1 Aminomethyl-pyrroloquinazoline compounds as thrombin receptor antagonists F2R, F2RL1, F2RL3 DCPS 1532/4885DHFR 2515/4885NPC1 4273/4885

“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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