SCHEMBL3580233

SCHEMBL3580233

CCc1n[nH]c2ccc(Nc3nc(-c4ccc(OC)cc4)nc4ccccc34)cc12

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 15/20 0.63
▸ ABCB1 P08183 7/20 0.63
▸ ABCC1 P33527 4/20 0.63
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ KDM1A O60341 1/20 0.57
▸ PDE5A O76074 1/20 0.55
▸ SYK P43405 1/20 0.53
▸ TP53 P04637 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL13316097 0.91 ABCG2 (0.55) ABCG2ABCB1ABCC1MEN1KMT2A
SCHEMBL3590103 0.81 ABCG2 (0.67) ABCG2ABCB1ABCC1MEN1KMT2A
SCHEMBL16404494 0.80 ABCG2 (0.95) ABCG2ABCB1ABCC1MEN1KMT2A
SCHEMBL3575009 0.80 GRM4 (0.45) ABCG2MEN1KMT2APDE5AMAPT
SCHEMBL1064726 0.78 ABCG2 (1.00) ABCG2ABCB1ABCC1MEN1KMT2A
SCHEMBL16404295 0.78 ABCG2 (1.00) ABCG2ABCB1ABCC1MEN1KMT2A
SCHEMBL16404472 0.77 ABCG2 (0.87) ABCG2ABCB1ABCC1MEN1KMT2A
SCHEMBL22201468 0.75 ABCG2 (0.71) ABCG2ABCB1ABCC1MEN1KMT2A
SCHEMBL16404355 0.74 ABCG2 (0.78) ABCG2ABCB1ABCC1MEN1KMT2A
SCHEMBL3585832 0.74 ROCK2 (0.64) ABCG2ABCB1ABCC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137324-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPHALAN 2010-06-03 — — US claimed
US-20060142313-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2006-06-29 — — US claimed
EP-1370553-A2 RHO-KINASE INHIBITORS Bayer Corporation (US) 2003-12-17 — — EP claimed
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease BAYER CORPORATION 2003-07-03 — — US claimed
WO-2002076976-A2 RHO-KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-03 — — WO claimed
US-20100137324-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPHALAN 2010-06-03 — — US disclosed
US-20100137324-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPHALAN 2010-06-03 — — US disclosed
US-20100137324-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPHALAN 2010-06-03 — — US disclosed
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION UNITED THERAPEUTICS CORPORATION 2009-02-05 — — US disclosed
WO-2008049000-A2 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION UNITED THERAPEUTICS CORPORATION (US) 2008-04-24 — — WO disclosed
US-20060142313-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2006-06-29 — — US disclosed
EP-1370553-B1 RHO-KINASE INHIBITORS BAYER AG (US) 2006-05-10 — — EP disclosed
EP-1370553-A2 RHO-KINASE INHIBITORS Bayer Corporation (US) 2003-12-17 — — EP disclosed
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease BAYER CORPORATION 2003-07-03 — — US disclosed
WO-2002076976-A2 RHO-KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-03 — — WO 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 (4 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-20060142313-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 ABCG2 3107/4885ABCB1 1785/4885ABCC1 4126/4885
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease CIT, PDE3A, PDE2A ABCG2 1193/4885ABCB1 1129/4885ABCC1 2616/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 ABCG2 3107/4885ABCB1 1785/4885ABCC1 4126/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA ABCG2 4736/4885ABCB1 2439/4885ABCC1 2469/4885

“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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