SCHEMBL13154698

SCHEMBL13154698

COc1cc2nc(Nc3ccc(F)cc3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.66
ABCG2 Q9UNQ0 5/20 0.61
SLC2A1 P11166 1/20 0.59
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
RAD52 P43351 1/20 0.57
CDC7 O00311 1/20 0.56
KDR P35968 2/20 0.55
EGFR P00533 3/20 0.52
PAK4 O96013 2/20 0.49
ROCK2 O75116 1/20 0.49
CCR4 P51679 1/20 0.48
IGF1R P08069 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
SCHEMBL3586555 0.93 RET (0.65) RETABCG2SLC2A1TP53MAPT
SCHEMBL3578638 0.92 RET (0.64) RETABCG2SLC2A1TP53MAPT
SCHEMBL13316009 0.92 RET (0.66) RETABCG2SLC2A1KDREGFR
SCHEMBL3579006 0.92 RET (0.66) RETABCG2SLC2A1TP53MAPT
SCHEMBL3100763 0.91 RET (0.63) RETABCG2SLC2A1TP53MAPT
SCHEMBL13154700 0.91 RET (0.65) RETABCG2SLC2A1TP53MAPT
SCHEMBL3577677 0.90 ABCG2 (0.63) RETABCG2SLC2A1TP53MAPT
SCHEMBL3582018 0.90 RET (0.62) RETABCG2SLC2A1TP53MAPT
SCHEMBL3581389 0.89 RET (0.61) RETABCG2SLC2A1TP53MAPT
SCHEMBL3584700 0.89 RET (0.61) RETABCG2SLC2A1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RET 801/4885ABCG2 3107/4885SLC2A1 4666/4885
US-20100249159-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 RET 801/4885ABCG2 3107/4885SLC2A1 4666/4885
US-20100125139-A1 PROCESS FOR PREPARING QUINAZOLINE RHO-KINASE INHIBITORS AND INTERMEDIATES THEREOF ROCK1, ROCK2, CIT RET 1193/4885ABCG2 1652/4885SLC2A1 4608/4885

“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.