SCHEMBL3122813

SCHEMBL3122813

Fc1cc(-c2nc(Cl)c3ccccc3n2)ccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.46
ABCG2 Q9UNQ0 6/20 0.45
NR1I3 Q14994 1/20 0.43
GRM2 Q14416 2/20 0.40
TSPO P30536 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HTT P42858 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ATM Q13315 2/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.40
PDE5A O76074 3/20 0.39
TOP1 P11387 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TGFBR1 P36897 1/20 0.39
HCRTR1 O43613 1/20 0.39

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
SCHEMBL13316087 0.89 METAP1 (0.49) METAP1ABCG2NR1I3GRM2HDAC6
SCHEMBL4090406 0.87 METAP1 (0.49) METAP1ABCG2NR1I3TSPOATM
SCHEMBL11917056 0.85 DHFR (0.39) ABCG2NR1I3TSPOHDAC6HTT
SCHEMBL25463096 0.80 MEN1 (0.57) METAP1ABCG2HTTNPC1RAB9A
SCHEMBL17275213 0.80 METAP1 (0.57) METAP1ABCG2HTTNPC1RAB9A
SCHEMBL18518213 0.80 MEN1 (0.47) HDAC6NPC1RAB9AMAPK1TOP1
SCHEMBL16404333 0.79 METAP1 (0.61) METAP1ABCG2HTTNPC1RAB9A
SCHEMBL384799 0.79 METAP1 (0.61) METAP1ABCG2HTTATMPDE5A
SCHEMBL31009730 0.79 ABCG2 (0.58) METAP1ABCG2MAPK1PDE5AMEN1
SCHEMBL4840414 0.79 ABCG2 (0.58) METAP1ABCG2MAPK1PDE5AMEN1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100125139-A1 PROCESS FOR PREPARING QUINAZOLINE RHO-KINASE INHIBITORS AND INTERMEDIATES THEREOF BANKSTON DONALD 2010-05-20 US claimed
EP-1370553-B1 RHO-KINASE INHIBITORS BAYER AG (US) 2006-05-10 EP claimed
EP-1542992-A2 PROCESS FOR PREPARING QUINAZOLINE RHO-KINASE INHIBITORS AND INTERMEDIATES THEREOF Bayer Corporation (US) 2005-06-22 EP claimed
WO-2004029045-A2 PROCESS FOR PREPARING QUINAZOLINE RHO-KINASE INHIBITORS AND INTERMEDIATES THEREOF BAYER PHARMACEUTICALS CORPORATION (US) 2004-04-08 WO claimed
EP-1370553-A2 RHO-KINASE INHIBITORS Bayer Corporation (US) 2003-12-17 EP claimed
US-20030220357-A1 Process for preparing quinazoline Rho-kinase inhibitiors and intermediates thereof BAYER HEALTHCARE LLC 2003-11-27 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-20100125139-A1 PROCESS FOR PREPARING QUINAZOLINE RHO-KINASE INHIBITORS AND INTERMEDIATES THEREOF BANKSTON DONALD 2010-05-20 US disclosed
US-7645878-B2 Reacting an aniline derivative with an acylchloride to form an intermeidate, cyclizing the intermediate, replacing hydroxy group with a leaving group (chloride), racting the product with an amino-heterocyclic compound BAYER HEALTHCARE LLC (US) 2010-01-12 US disclosed
EP-1953152-A1 Process for preparing quinazoline RHO-kinase inhibitors and intermediates thereof Bayer Corporation (US) 2008-08-06 EP 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
EP-1542992-A2 PROCESS FOR PREPARING QUINAZOLINE RHO-KINASE INHIBITORS AND INTERMEDIATES THEREOF Bayer Corporation (US) 2005-06-22 EP disclosed
WO-2004029045-A2 PROCESS FOR PREPARING QUINAZOLINE RHO-KINASE INHIBITORS AND INTERMEDIATES THEREOF BAYER PHARMACEUTICALS CORPORATION (US) 2004-04-08 WO disclosed
US-20030220357-A1 Process for preparing quinazoline Rho-kinase inhibitiors and intermediates thereof BAYER HEALTHCARE LLC 2003-11-27 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 (5 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 METAP1 1724/4885ABCG2 3107/4885NR1I3 2534/4885
US-20030220357-A1 Process for preparing quinazoline Rho-kinase inhibitiors and intermediates thereof ROCK1, ROCK2, RHOT2 METAP1 1794/4885ABCG2 1704/4885NR1I3 3588/4885
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease CIT, PDE3A, PDE2A METAP1 2652/4885ABCG2 1193/4885NR1I3 2680/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 METAP1 1724/4885ABCG2 3107/4885NR1I3 2534/4885
US-20100125139-A1 PROCESS FOR PREPARING QUINAZOLINE RHO-KINASE INHIBITORS AND INTERMEDIATES THEREOF ROCK1, ROCK2, CIT METAP1 1905/4885ABCG2 1652/4885NR1I3 3024/4885

“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.