SCHEMBL6631095

SCHEMBL6631095

CN(C)Cc1cn(Cc2c(Cl)cccc2Cl)c2cc(C3CC3)c3nc(N)nc(N)c3c12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DCPS Q96C86 6/20 0.38
▸ HTT P42858 1/20 0.33
▸ 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
▸ ADORA2A P29274 1/20 0.31
▸ F2R P25116 1/20 0.30

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
SCHEMBL6630735 0.82 DCPS (0.43) DCPSHTTNPC1ALDH1A1RAB9A
SCHEMBL6630767 0.76 F2R (0.46) DCPSHTTF2R
SCHEMBL6630676 0.73 HTT (0.35) DCPSHTTF2R
SCHEMBL6795053 0.73 F2R (0.48) DCPSHTTALDH1A1ADORA2AF2R
SCHEMBL6630874 0.64 TRPM5 (0.35) HTTALDH1A1
SCHEMBL6630460 0.64 CYP1A2 (0.38) ALDH1A1ADORA2AF2R
SCHEMBL24166434 0.62 F2R (0.49) F2R
SCHEMBL21121770 0.56 SMN1; SMN2 (0.48) HTTALDH1A1SMN1; SMN2ADORA2A
Bromide SCHEMBL21121865 0.56 SMN1; SMN2 (0.47) HTTALDH1A1SMN1; SMN2ADORA2A
SCHEMBL10197977 0.55 HTR2C (0.68) ALDH1A1

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 1532/4885HTT 2936/4885NPC1 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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