SCHEMBL3582369

SCHEMBL3582369

COc1ccccc1N1CCN(c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.67
HTR2C P28335 4/20 0.67
ROCK2 O75116 8/20 0.58
ROCK1 Q13464 2/20 0.54
TGFBR1 P36897 1/20 0.52
RET P07949 1/20 0.50
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HRH4 Q9H3N8 1/20 0.49
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL3576178 0.88 ROCK2 (0.61) HTR2AHTR2CROCK2ROCK1TGFBR1
SCHEMBL3580823 0.85 ROCK2 (0.64) HTR2AHTR2CROCK2ROCK1TGFBR1
SCHEMBL22201371 0.84 ROCK2 (0.68) HTR2AROCK2ROCK1TGFBR1
SCHEMBL22201290 0.83 PIK3CA (0.65) HTR2AHTR2CROCK2TGFBR1SMN1; SMN2
SCHEMBL20774821 0.80 ROCK2 (0.71) HTR2AROCK2ROCK1TGFBR1
SCHEMBL30611459 0.80 ROCK2 (0.71) HTR2AROCK2ROCK1TGFBR1
SCHEMBL3579466 0.80 ROCK2 (0.56) HTR2AHTR2CROCK2ROCK1TGFBR1
SCHEMBL3578259 0.79 ROCK2 (0.78) ROCK2ROCK1TGFBR1RETPOLB
SCHEMBL3583927 0.78 ROCK2 (0.58) ROCK2TGFBR1RETMAPTTSHR
SCHEMBL2294296 0.76 KDM1A (0.64) ROCK2ROCK1TGFBR1

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 12 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
EP-1370553-A2 RHO-KINASE INHIBITORS Bayer Corporation (US) 2003-12-17 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
WO-2002076976-A2 RHO-KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-03 WO 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 HTR2A 2282/4885HTR2C 2504/4885ROCK2 3/4885
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease CIT, PDE3A, PDE2A HTR2A 761/4885HTR2C 1063/4885ROCK2 8/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 HTR2A 2282/4885HTR2C 2504/4885ROCK2 3/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA HTR2A 3224/4885HTR2C 3724/4885ROCK2 2/4885

“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.