SCHEMBL7289397

SCHEMBL7289397

O=[N+]([O-])c1ccc2nc(-c3cccnc3)nc(Cl)c2c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.64
ABCG2 Q9UNQ0 9/20 0.59
RAB9A P51151 1/20 0.54
KMT2A Q03164 2/20 0.52
OPRK1 P41145 1/20 0.52
CHRNB2 P17787 2/20 0.51
CHRNA5 P30532 2/20 0.51
CHRNA4 P43681 2/20 0.51
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL2154779 0.81 KMT2A (0.43) PDE5AABCG2RAB9AKMT2AOPRK1
SCHEMBL2154602 0.80 PDE5A (0.62) PDE5AABCG2RAB9AKMT2AMAPT
SCHEMBL14726166 0.80 PDE5A (0.50) PDE5AKMT2AMAPTALDH1A1MEN1
SCHEMBL14726136 0.80 ABCG2 (0.72) PDE5AABCG2
Hydrochloric Acid SCHEMBL7280013 0.79 PDE5A (0.63) PDE5AABCG2RAB9AKMT2AMAPT
SCHEMBL31399886 0.79 KMT2A (0.53) ABCG2RAB9AKMT2AOPRK1MAPT
SCHEMBL16183305 0.78 GBA1 (0.49) PDE5AKMT2AMAPTALDH1A1MEN1
SCHEMBL15966763 0.78 CYP3A4 (0.57) PDE5AKMT2AMAPTALDH1A1MEN1
SCHEMBL7287561 0.78 PDE5A (1.00) PDE5AABCG2KMT2AMAPTALDH1A1
SCHEMBL14726233 0.78 PDE5A (0.60) PDE5ARAB9AKMT2AMAPTALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020025968-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 4-aminoquinazoline derivatives OSI PHARMACEUTICALS, INC. 2002-02-28 US disclosed
EP-0579496-B1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO (JP) 2001-11-14 EP disclosed
US-5439895-A Cardiovascular disorders; inhibitor of thromboxane A2 synthetase and cyclic guanosine 3',5'-monophosphate ONO PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
US-5436233-A Nervous system disorders ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-25 US disclosed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 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-20020025968-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 4-aminoquinazoline derivatives VHL, MCL1, NFATC1 PDE5A 3794/4885ABCG2 3440/4885RAB9A 968/4885

“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.