SCHEMBL6407705

SCHEMBL6407705

COc1ccc(C2NCc3c2[nH]c2ccccc2c3=O)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 1/20 0.58
ALOX12 P18054 1/20 0.58
PRMT5 O14744 10/20 0.56
EGFR P00533 6/20 0.56
PDE5A O76074 1/20 0.54
HTR2A P28223 3/20 0.53
HTR2C P28335 3/20 0.53
HTR2B P41595 3/20 0.53
ERBB2 P04626 1/20 0.49
ERBB4 Q15303 1/20 0.49
CARM1 Q86X55 1/20 0.49
ABCB1 P08183 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
HTR7 P34969 1/20 0.47

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
SCHEMBL6407779 0.81 KMT2A (0.82) MEN1KMT2APRMT5EGFRHTR2A
SCHEMBL6407096 0.77 PDE5A (0.58) PDE5A
SCHEMBL6407129 0.77 PDE5A (0.58) PDE5A
SCHEMBL2502972 0.76 PDE5A (0.60) PDE5A
SCHEMBL2509857 0.76 PDE5A (0.60) PDE5A
Hydrochloric Acid SCHEMBL6407788 0.76 PDE5A (0.59) PDE5A
Hydrochloric Acid SCHEMBL5537994 0.76 PDE5A (0.59) PDE5A
SCHEMBL17760542 0.73 MEN1 (1.00) MEN1KMT2AALDH1A1ALOX12PRMT5
SCHEMBL8323002 0.73 MEN1 (1.00) MEN1KMT2AALDH1A1ALOX12PRMT5
SCHEMBL17760553 0.73 MEN1 (0.83) MEN1KMT2AALDH1A1ALOX12PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113402-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2005-05-26 US disclosed
US-6818646-B2 1,2,3,4-TETRAHYDRO-2-(5-(2-PYRIDINYL)-PYRIMIDIN-2-YL)-3-(2,3 -DIHYDROBENZOFURANYL)-9H-PYRROLO-(3,4-B)QUINOLIN-9-ONE; MALE ERECTILE DYSFUNCTION; SEXUAL DISORDERS SUI ZHIHUA (US) 2004-11-16 US disclosed
EP-1296981-B1 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2004-10-06 EP disclosed
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2004-03-04 US disclosed
US-6635638-B2 Treatment of sexual dysfunction, cardiovascular system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-10-21 US disclosed
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 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 (3 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-20050113402-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B MEN1 3847/4885KMT2A 3106/4885ALDH1A1 618/4885
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B MEN1 3647/4885KMT2A 3200/4885ALDH1A1 498/4885
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B MEN1 3647/4885KMT2A 3200/4885ALDH1A1 498/4885

“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.