SCHEMBL3577677

SCHEMBL3577677

COc1cc2nc(Nc3ccc(C(F)(F)F)cc3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.63
RET P07949 2/20 0.62
SLC2A1 P11166 1/20 0.55
KDR P35968 2/20 0.52
EGFR P00533 2/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
RAD52 P43351 1/20 0.46
CDC7 O00311 1/20 0.45
PAK4 O96013 4/20 0.45
IGF1R P08069 1/20 0.45
ULK1 O75385 1/20 0.45

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
SCHEMBL13154698 0.90 RET (0.66) ABCG2RETSLC2A1KDREGFR
SCHEMBL3589266 0.90 RET (0.57) ABCG2RETSLC2A1KDREGFR
SCHEMBL13154700 0.89 RET (0.65) ABCG2RETSLC2A1KDREGFR
SCHEMBL3579006 0.88 RET (0.66) ABCG2RETSLC2A1KDREGFR
SCHEMBL13316009 0.88 RET (0.66) ABCG2RETSLC2A1KDREGFR
SCHEMBL3586555 0.87 RET (0.65) ABCG2RETSLC2A1KDREGFR
SCHEMBL13154704 0.87 RET (0.70) ABCG2RETSLC2A1KDREGFR
SCHEMBL3578638 0.87 RET (0.64) ABCG2RETSLC2A1KDREGFR
SCHEMBL3100763 0.86 RET (0.63) ABCG2RETSLC2A1KDREGFR
SCHEMBL3578468 0.84 RET (0.54) ABCG2RETSLC2A1KDREGFR

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 10 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-B1 RHO-KINASE INHIBITORS BAYER AG (US) 2006-05-10 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
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
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

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 3107/4885RET 801/4885SLC2A1 4666/4885
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease CIT, PDE3A, PDE2A ABCG2 1193/4885RET 1575/4885SLC2A1 3335/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 ABCG2 3107/4885RET 801/4885SLC2A1 4666/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA ABCG2 4736/4885RET 246/4885SLC2A1 4408/4885

“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.