SCHEMBL6630767

SCHEMBL6630767

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 9/20 0.46
▸ HTT P42858 1/20 0.41
▸ SLC2A1 P11166 5/20 0.33
▸ DCPS Q96C86 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 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
SCHEMBL6630676 0.90 HTT (0.35) F2RHTTSLC2A1DCPSTP53
SCHEMBL6795053 0.83 F2R (0.48) F2RHTTDCPSTP53MAPT
SCHEMBL6630874 0.78 TRPM5 (0.35) HTTMAPT
SCHEMBL6631095 0.76 DCPS (0.38) F2RHTTDCPS
SCHEMBL6630460 0.69 CYP1A2 (0.38) F2RTP53MAPT
SCHEMBL21121770 0.64 SMN1; SMN2 (0.48) HTTTP53MAPT
Bromide SCHEMBL21121865 0.63 SMN1; SMN2 (0.47) HTTTP53MAPT
SCHEMBL10197977 0.58 HTR2C (0.68) —
SCHEMBL24165041 0.58 SLC2A1 (0.72) F2RSLC2A1
SCHEMBL22048288 0.57 SLC6A2 (0.46) HTTMAPT

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 F2R 1/4885HTT 2936/4885SLC2A1 4854/4885

“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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