SCHEMBL3580880

SCHEMBL3580880

COc1cc2nc(-c3ccc(-c4ccccc4)cc3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.64
ROCK2 O75116 8/20 0.60
ABCG2 Q9UNQ0 8/20 0.58
ABCB1 P08183 5/20 0.58
ABCC1 P33527 3/20 0.58
ROCK1 Q13464 2/20 0.55
TGFBR1 P36897 1/20 0.55
CLK2 P49760 1/20 0.54
BLK P51451 1/20 0.54
CSNK2A1 P68400 1/20 0.54
STK3 Q13188 1/20 0.54
DYRK1A Q13627 1/20 0.54
AURKB Q96GD4 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
STK17A Q9UEE5 1/20 0.54
KDR P35968 1/20 0.53
PRKD3 O94806 1/20 0.52
MET P08581 1/20 0.52

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
SCHEMBL29677296 0.92 RET (0.66) RETROCK2ABCG2ABCB1ABCC1
SCHEMBL221437 0.92 RET (0.66) RETROCK2ABCG2ABCB1ABCC1
SCHEMBL3808492 0.91 ROCK2 (0.59) RETROCK2ABCG2ABCB1ABCC1
SCHEMBL3583259 0.89 ROCK2 (0.64) RETROCK2ABCG2ABCB1ROCK1
SCHEMBL14201328 0.89 ROCK2 (0.59) RETROCK2ABCG2ABCB1ABCC1
SCHEMBL11920174 0.88 ROCK2 (0.60) ROCK2ABCG2ABCB1ABCC1ROCK1
SCHEMBL10221629 0.88 PRKD3 (0.60) RETROCK2ABCG2ABCB1ABCC1
SCHEMBL1721958 0.88 ROCK2 (0.58) RETROCK2ABCG2ABCB1ABCC1
SCHEMBL3588668 0.88 RET (0.61) RETROCK2ABCG2ABCB1ABCC1
SCHEMBL3593329 0.87 RET (0.62) RETROCK2ABCG2ABCB1ABCC1

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 9 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
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 801/4885ROCK2 3/4885ABCG2 3107/4885
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease CIT, PDE3A, PDE2A RET 1575/4885ROCK2 8/4885ABCG2 1193/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 RET 801/4885ROCK2 3/4885ABCG2 3107/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA RET 246/4885ROCK2 2/4885ABCG2 4736/4885

“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.