SCHEMBL13154697

SCHEMBL13154697

c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.71
ROCK2 O75116 11/20 0.70
ROCK1 Q13464 3/20 0.67
CLK2 P49760 1/20 0.62
BLK P51451 1/20 0.62
CSNK2A1 P68400 1/20 0.62
STK3 Q13188 1/20 0.62
DYRK1A Q13627 1/20 0.62
AURKB Q96GD4 1/20 0.62
CLK4 Q9HAZ1 1/20 0.62
STK17A Q9UEE5 1/20 0.62
ABCG2 Q9UNQ0 7/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
PKN2 Q16513 1/20 0.59
PDE5A O76074 2/20 0.59
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.57
GAA P10253 1/20 0.57

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
SCHEMBL29395013 1.00 TGFBR1 (0.71) TGFBR1ROCK2ROCK1CLK2BLK
SCHEMBL3587569 0.98 TGFBR1 (0.69) TGFBR1ROCK2ROCK1CLK2BLK
SCHEMBL3578585 0.92 TGFBR1 (0.65) TGFBR1ROCK2ROCK1CLK2BLK
SCHEMBL3586914 0.92 TGFBR1 (0.71) TGFBR1ROCK2ROCK1CLK2BLK
SCHEMBL3589215 0.92 TGFBR1 (0.65) TGFBR1ROCK2ROCK1CLK2BLK
SCHEMBL882717 0.91 ROCK2 (0.69) TGFBR1ROCK2ROCK1CLK2BLK
SCHEMBL31484231 0.90 ROCK2 (0.70) TGFBR1ROCK2ROCK1CLK2BLK
SCHEMBL26389170 0.90 ROCK2 (0.70) TGFBR1ROCK2ROCK1CLK2BLK
SCHEMBL3585254 0.89 ABCG2 (0.67) TGFBR1ROCK2ROCK1CLK2BLK
SCHEMBL5140214 0.89 TGFBR1 (0.62) TGFBR1ROCK2ROCK1CLK2BLK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024023276-A1 ROCK2 INHIBITORS FOR THE TREATMENT OF VIRAL INFECTIONS GRAVITON BIOSCIENCE BV (NL) 2024-02-01 WO disclosed
US-20100249159-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPALAN 2010-09-30 US disclosed
US-20100249159-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPALAN 2010-09-30 US disclosed
US-20100137324-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPHALAN 2010-06-03 US disclosed
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-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
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
EP-1370552-B1 RHO-KINASE INHIBITORS BAYER PHARMACEUTICALS CORP (US) 2007-02-14 EP 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 (3 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-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 TGFBR1 1599/4885ROCK2 3/4885ROCK1 2/4885
US-20100249159-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 TGFBR1 1599/4885ROCK2 3/4885ROCK1 2/4885
US-20100125139-A1 PROCESS FOR PREPARING QUINAZOLINE RHO-KINASE INHIBITORS AND INTERMEDIATES THEREOF ROCK1, ROCK2, CIT TGFBR1 4415/4885ROCK2 2/4885ROCK1 1/4885

“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.