SCHEMBL2712569

SCHEMBL2712569

N#Cc1ccc(-c2cnn(Cc3cccc(C(=O)O)c3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ POLB P06746 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ CREBBP Q92793 2/20 0.56
▸ ROCK2 O75116 1/20 0.54
▸ HTT P42858 1/20 0.51
▸ ALK Q9UM73 1/20 0.51
▸ SCD O00767 2/20 0.50
▸ FFAR4 Q5NUL3 1/20 0.47
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ ITK Q08881 1/20 0.47
▸ MEP1B Q16820 1/20 0.45
▸ MRGPRX4 Q96LA9 2/20 0.44
▸ ALKBH1 Q13686 1/20 0.44
▸ KLKB1 P03952 1/20 0.44
▸ NAMPT P43490 1/20 0.43
▸ DHODH Q02127 1/20 0.43

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
SCHEMBL2713277 0.87 CREBBP (0.55) L3MBTL1POLBTDP1CREBBPROCK2
SCHEMBL17790720 0.87 ROCK2 (0.57) L3MBTL1POLBTDP1CREBBPROCK2
SCHEMBL2726830 0.81 CYP19A1 (0.63) ROCK2
SCHEMBL30730357 0.79 HSD17B10 (0.57) L3MBTL1POLBTDP1SCDCYP11B1
SCHEMBL27364039 0.77 L3MBTL1 (0.70) L3MBTL1POLBTDP1HTTALK
SCHEMBL13851465 0.75 TDP1 (1.00) L3MBTL1POLBTDP1HTT
SCHEMBL27571041 0.75 POLB (0.71) L3MBTL1POLBTDP1HTTALK
SCHEMBL19087151 0.75 POLB (0.71) L3MBTL1POLBTDP1HTTALK
SCHEMBL13736854 0.75 POLB (0.71) L3MBTL1POLBTDP1HTTALK
SCHEMBL2712751 0.75 MRGPRX4 (0.49) MEP1BMRGPRX4

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
EP-2630144-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-09-07 — — EP disclosed
EP-2630144-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-09-07 — — EP disclosed
US-9000154-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-07 — — US disclosed
US-9000154-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-07 — — US disclosed
US-9000154-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-07 — — US disclosed
EP-2630144-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-08-28 — — EP disclosed
US-20120270868-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 — — US disclosed
US-20120270868-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 — — US disclosed
US-20120270868-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 — — US disclosed
WO-2012054367-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 — — WO disclosed
WO-2012054367-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 — — WO 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 (1 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-20120270868-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA L3MBTL1 3784/4885POLB 2839/4885TDP1 1659/4885

“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.

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