SCHEMBL6629445

SCHEMBL6629445

Nc1nc(Cl)nc2ccc3c(c(CN4CCCC4)cn3Cc3c(Cl)cccc3Cl)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCPS Q96C86 5/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CACNB4 O00305 4/20 0.36
▸ CACNA1A O00555 4/20 0.36
▸ CACNA1G O43497 4/20 0.36
▸ CACNG3 O60359 4/20 0.36
▸ CACNA1F O60840 4/20 0.36
▸ CACNA1H O95180 4/20 0.36
▸ CACNB3 P54284 4/20 0.36
▸ CACNA2D1 P54289 4/20 0.36
▸ CACNG7 P62955 4/20 0.36
▸ CACNA1B Q00975 4/20 0.36
▸ CACNA1D Q01668 4/20 0.36
▸ CACNB1 Q02641 4/20 0.36
▸ CACNG1 Q06432 4/20 0.36
▸ CACNB2 Q08289 4/20 0.36
▸ CACNA1S Q13698 4/20 0.36
▸ CACNA1C Q13936 4/20 0.36

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 0.82 HTT (0.35) DCPSPOLBF2R
SCHEMBL6630767 0.75 F2R (0.46) DCPSF2R
SCHEMBL6795053 0.71 F2R (0.48) DCPSKDM4EALDH1A1F2R
SCHEMBL6630874 0.69 TRPM5 (0.35) KDM4EALDH1A1POLB
SCHEMBL30596550 0.64 KDM4E (0.70) KDM4EALDH1A1POLBCYP2A13HRH3
SCHEMBL14583991 0.63 SLC22A12 (0.56) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL21497073 0.63 DHFR (0.49) DCPS
SCHEMBL29669166 0.60 KDM4E (0.58) KDM4EALDH1A1POLBCYP2A13RAB9A
SCHEMBL20238189 0.60 KDM4E (0.58) KDM4EALDH1A1POLBCYP2A13RAB9A
SCHEMBL2107499 0.59 ALDH1A1 (0.96) KDM4EALDH1A1POLBCYP2A13RAB9A

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 DCPS 1532/4885KDM4E 2554/4885ALDH1A1 4042/4885

“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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