SCHEMBL6630460

SCHEMBL6630460

CN(C)Cc1cn(Cc2c(Cl)cccc2Cl)c2ccc3nc(NC4CC4)ncc3c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 6/20 0.38
▸ CYP3A4 P08684 6/20 0.38
▸ CYP2D6 P10635 5/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ F2R P25116 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ADORA2A P29274 3/20 0.36
▸ ADORA1 P30542 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK8 P45983 5/20 0.34
▸ MAPK9 P45984 3/20 0.34
▸ JUN P05412 2/20 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
SCHEMBL6795053 0.85 F2R (0.48) CYP1A2CYP3A4CYP2D6ALOX15TSHR
SCHEMBL6630676 0.71 HTT (0.35) TP53MAPTF2R
SCHEMBL6630767 0.69 F2R (0.46) TP53MAPTF2R
SCHEMBL6630874 0.69 TRPM5 (0.35) CYP3A4KDM4ECYP2C19MAPTALDH1A1
SCHEMBL6631095 0.64 DCPS (0.38) F2RADORA2AALDH1A1
SCHEMBL13797435 0.62 MCHR1 (0.58) ACHE
SCHEMBL13795915 0.59 MCHR1 (0.54) ACHE
SCHEMBL13794500 0.59 MCHR1 (0.58) —
SCHEMBL13796715 0.58 MCHR1 (0.59) —
SCHEMBL13797440 0.56 MCHR1 (0.61) ACHE

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
EP-1370560-B1 AMINOMETHYL-PYRROLOQUINAZOLINE COMPOUNDS AS THROMBIN RECEPTOR ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2004-11-10 — — EP claimed
US-6740657-B2 FOR EXAMPLE, N3-CYCLOPROPYL-7-((2,6-DICHLOROPHENYL)METHYL)-9-((DIMETHYLAMINO)METHYL)-7H -PYRROLO(3,2-F) QUINAZOLINE-1,3-DIAMI NE; TREATING CARDIOVASCULAR DISORDERS, RESTENOSIS, THROMBOSIS, AND OTHER DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-05-25 — — US 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 CYP1A2 2290/4885CYP3A4 1243/4885CYP2D6 3522/4885

“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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