SCHEMBL6630676

SCHEMBL6630676

CN(C)Cc1cn(Cc2c(Cl)cccc2Cl)c2ccc3nc(Cl)nc(N)c3c12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.35
▸ F2R P25116 6/20 0.34
▸ DCPS Q96C86 1/20 0.33
▸ SLC2A1 P11166 4/20 0.32
▸ MAPT P10636 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TRPM5 Q9NZQ8 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
SCHEMBL6630767 0.90 F2R (0.46) HTTF2RDCPSSLC2A1MAPT
SCHEMBL6630874 0.86 TRPM5 (0.35) HTTMAPTPOLBHTR2AHTR2C
SCHEMBL6795053 0.85 F2R (0.48) HTTF2RDCPSMAPTTP53
SCHEMBL6631095 0.73 DCPS (0.38) HTTF2RDCPS
SCHEMBL6630460 0.71 CYP1A2 (0.38) F2RMAPTTP53
SCHEMBL21497073 0.64 DHFR (0.49) HTTDCPSGAA
SCHEMBL10197977 0.60 HTR2C (0.68) HTR2AHTR2CHTR2BTRPM5
SCHEMBL22048288 0.58 SLC6A2 (0.46) HTTMAPTPOLBGAA
SCHEMBL21121605 0.58 SMN1; SMN2 (0.47) HTTMAPTTP53POLBGAA
SCHEMBL28165532 0.57 CSNK1A1 (0.53) DCPS

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 HTT 2936/4885F2R 1/4885DCPS 1532/4885

“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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