SCHEMBL2713277

SCHEMBL2713277

COC(=O)c1cccc(Cn2cc(-c3ccc(C#N)cc3)cn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 1/20 0.55
▸ CD74 P04233 1/20 0.53
▸ MIF P14174 1/20 0.53
▸ ROCK2 O75116 1/20 0.53
▸ MRGPRX4 Q96LA9 1/20 0.48
▸ SCD O00767 1/20 0.47
▸ EGLN2 Q96KS0 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ FNTA P49354 1/20 0.46
▸ FNTB P49356 1/20 0.46
▸ PGGT1B P53609 1/20 0.46
▸ KLKB1 P03952 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TAS2R8 Q9NYW2 2/20 0.45
▸ FFAR4 Q5NUL3 1/20 0.45
▸ ALK Q9UM73 2/20 0.44
▸ ITK Q08881 1/20 0.44
▸ CYP11B1 P15538 1/20 0.44

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
SCHEMBL17790720 0.88 ROCK2 (0.57) CREBBPROCK2SCDEGLN2KDM4E
SCHEMBL2712569 0.87 L3MBTL1 (0.60) CREBBPROCK2MRGPRX4SCDKLKB1
SCHEMBL13555495 0.87 L3MBTL1 (0.58) CREBBPCD74MIFKDM4EPOLB
SCHEMBL2728201 0.82 CD74 (0.79) CD74MIFROCK2
SCHEMBL30730185 0.80 POLB (0.62) CD74MIFKDM4EPOLBTDP1
SCHEMBL19116684 0.79 CD74 (0.57) CD74MIFKDM4EPOLBTDP1
SCHEMBL19086984 0.79 CD74 (0.57) CD74MIFKDM4EKLKB1POLB
SCHEMBL2715134 0.78 HPGD (0.64) CD74MIFKDM4EPOLBTDP1
SCHEMBL6032891 0.78 CD74 (0.56) CD74MIFKDM4EPOLBTDP1
SCHEMBL19086978 0.77 KDM4E (0.58) CD74MIFSCDKDM4EPOLB

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 5 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
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
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 CREBBP 2085/4885CD74 4568/4885MIF 2177/4885

“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.

Send feedback