SCHEMBL3584860

SCHEMBL3584860

COc1cc2nc(NCc3c(F)cccc3F)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.59
PAK4 O96013 10/20 0.51
KDR P35968 1/20 0.49
ABCG2 Q9UNQ0 4/20 0.49
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
EGFR P00533 1/20 0.47
SLC2A1 P11166 1/20 0.45
NTRK1 P04629 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
SCHEMBL3585951 0.90 RET (0.58) RETPAK4KDRABCG2EGFR
SCHEMBL3591149 0.89 RET (0.58) RETPAK4KDRABCG2EGFR
SCHEMBL3578899 0.88 RET (0.62) RETPAK4KDRABCG2ROCK2
SCHEMBL5737512 0.88 RET (0.59) RETPAK4KDRABCG2EGFR
SCHEMBL3578669 0.87 RET (0.61) RETPAK4KDRABCG2ROCK2
SCHEMBL3581389 0.87 RET (0.61) RETPAK4KDRABCG2ROCK2
SCHEMBL3582163 0.87 RET (0.58) RETPAK4KDRABCG2EGFR
SCHEMBL3587807 0.86 RET (0.59) RETPAK4KDRABCG2ROCK2
SCHEMBL3100763 0.85 RET (0.63) RETPAK4KDRABCG2EGFR
SCHEMBL3578638 0.84 RET (0.64) RETPAK4KDRABCG2EGFR

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 801/4885PAK4 178/4885KDR 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 1575/4885PAK4 351/4885KDR 605/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 RET 801/4885PAK4 178/4885KDR 1115/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA RET 246/4885PAK4 414/4885KDR 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.