SCHEMBL3587807

SCHEMBL3587807

COc1cc2nc(Nc3cccc(F)c3F)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.59
ABCG2 Q9UNQ0 5/20 0.52
KDR P35968 1/20 0.49
SLC2A1 P11166 1/20 0.48
EGFR P00533 1/20 0.47
PAK4 O96013 4/20 0.45
KIF5B P33176 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
ROCK2 O75116 3/20 0.45
MEN1 O00255 1/20 0.44
RAD52 P43351 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3581501 0.92 RET (0.60) RETABCG2KDRSLC2A1EGFR
SCHEMBL5737450 0.91 RET (0.61) RETABCG2KDRSLC2A1EGFR
SCHEMBL3578899 0.90 RET (0.62) RETABCG2KDRSLC2A1EGFR
SCHEMBL3582018 0.88 RET (0.62) RETABCG2KDRSLC2A1EGFR
SCHEMBL3575006 0.88 RET (0.62) RETABCG2KDRSLC2A1EGFR
SCHEMBL3581292 0.87 RET (0.61) RETABCG2KDRSLC2A1EGFR
SCHEMBL3584700 0.87 RET (0.61) RETABCG2KDRSLC2A1EGFR
SCHEMBL3100763 0.87 RET (0.63) RETABCG2KDRSLC2A1EGFR
SCHEMBL3578638 0.86 RET (0.64) RETABCG2KDRSLC2A1EGFR
SCHEMBL13154698 0.86 RET (0.66) RETABCG2KDRSLC2A1EGFR

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 RET 801/4885ABCG2 3107/4885KDR 1115/4885
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease CIT, PDE3A, PDE2A RET 1575/4885ABCG2 1193/4885KDR 605/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 RET 801/4885ABCG2 3107/4885KDR 1115/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA RET 246/4885ABCG2 4736/4885KDR 822/4885

“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.