SCHEMBL16183378

SCHEMBL16183378

O=[N+]([O-])c1ccc2c(c1)CCN2c1nc(-c2cccnc2)nc2ccc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 2/20 0.49
▸ ABCG2 Q9UNQ0 8/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ GBA1 P04062 2/20 0.42
▸ CHRNB2 P17787 2/20 0.41
▸ CHRNA5 P30532 2/20 0.41
▸ CHRNA4 P43681 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ PRNP P04156 1/20 0.39
▸ PPARG P37231 1/20 0.39

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
SCHEMBL16183400 0.93 PDE5A (0.45) PDE5AABCG2HTR2CGBA1CHRNB2
SCHEMBL16183980 0.90 KMT2A (0.48) PDE5AABCG2HTR2CGBA1RAB9A
SCHEMBL16183317 0.90 PDE5A (0.47) PDE5AABCG2HTR2CGBA1CHRNB2
SCHEMBL16183379 0.87 ABCG2 (0.47) PDE5AABCG2HTR2CGBA1RAB9A
SCHEMBL14358658 0.87 ABCG2 (0.56) PDE5AABCG2HTR2CALDH1A1MAPT
SCHEMBL16183402 0.86 HTR2C (0.45) PDE5AABCG2HTR2CGBA1CHRNB2
SCHEMBL16186328 0.85 ABCG2 (0.48) PDE5AABCG2HTR2CGBA1LMNA
SCHEMBL16183372 0.85 GBA1 (0.46) PDE5AHTR2CGBA1LMNACYP1A2
SCHEMBL16183384 0.85 GBA1 (0.46) PDE5AABCG2GBA1LMNACYP1A2
SCHEMBL16183373 0.85 GBA1 (0.46) PDE5AHTR2CGBA1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US 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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB PDE5A 704/4885ABCG2 1597/4885HTR2C 32/4885

“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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