SCHEMBL3593329

SCHEMBL3593329

CCOc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3cc(OC)c(OC)cc3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.62
ROCK2 O75116 11/20 0.53
PRKD3 O94806 2/20 0.53
MET P08581 1/20 0.53
KDR P35968 1/20 0.52
EGFR P00533 1/20 0.52
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ROCK1 Q13464 3/20 0.50
CSNK2A1 P68400 2/20 0.49
STK3 Q13188 2/20 0.49
AURKB Q96GD4 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
STK17A Q9UEE5 2/20 0.49
CLK2 P49760 1/20 0.49
BLK P51451 1/20 0.49
DYRK1A Q13627 1/20 0.49

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
SCHEMBL221437 0.89 RET (0.66) RETROCK2KDREGFRROCK1
SCHEMBL29677296 0.89 RET (0.66) RETROCK2KDREGFRROCK1
SCHEMBL3580880 0.87 RET (0.64) RETROCK2PRKD3METKDR
SCHEMBL3585832 0.86 ROCK2 (0.64) ROCK2PRKD3METMEN1NPC1
SCHEMBL3588668 0.84 RET (0.61) RETROCK2PRKD3METKDR
SCHEMBL3583259 0.84 ROCK2 (0.64) RETROCK2PRKD3METKDR
SCHEMBL3808492 0.82 ROCK2 (0.59) RETROCK2PRKD3METEGFR
SCHEMBL1724075 0.79 ROCK2 (0.58) RETROCK2PRKD3METKDR
SCHEMBL14201333 0.79 ROCK2 (0.58) RETROCK2PRKD3METKDR
SCHEMBL1721958 0.79 ROCK2 (0.58) RETROCK2PRKD3METKDR

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 8 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
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
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 3/4885PRKD3 109/4885
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 8/4885PRKD3 50/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 RET 801/4885ROCK2 3/4885PRKD3 109/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA RET 246/4885ROCK2 2/4885PRKD3 176/4885

“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.