SCHEMBL2715134

SCHEMBL2715134

COC(=O)c1cccc(Cn2cc(Br)cn2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.64
▸ LMNA P02545 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ CD74 P04233 1/20 0.56
▸ MIF P14174 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ POLB P06746 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ LOXL2 Q9Y4K0 1/20 0.51
▸ CYP4F2 P78329 2/20 0.50
▸ CYP4A11 Q02928 2/20 0.50
▸ ABHD6 Q9BV23 1/20 0.49
▸ SLC7A5 Q01650 1/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TAS2R8 Q9NYW2 2/20 0.48
▸ MEN1 O00255 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
SCHEMBL19086984 0.86 CD74 (0.57) HPGDCD74MIFKDM4EPOLB
SCHEMBL19116684 0.86 CD74 (0.57) HPGDCD74MIFKDM4EALDH1A1
SCHEMBL6032891 0.85 CD74 (0.56) HPGDLMNATSHRCD74MIF
SCHEMBL30730185 0.85 POLB (0.62) HPGDCD74MIFKDM4EALDH1A1
SCHEMBL13736854 0.84 POLB (0.71) HPGDLMNATSHRKDM4EALDH1A1
SCHEMBL19086978 0.84 KDM4E (0.58) HPGDCD74MIFKDM4EALDH1A1
SCHEMBL13736889 0.83 LMNA (0.61) HPGDLMNATSHRKDM4EALDH1A1
SCHEMBL13555495 0.83 L3MBTL1 (0.58) HPGDCD74MIFKDM4EALDH1A1
SCHEMBL15653778 0.83 CD74 (0.54) HPGDLMNATSHRCD74MIF
SCHEMBL30730090 0.81 CD74 (0.54) HPGDCD74MIFKDM4EPOLB

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 19 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-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 — — US disclosed
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 — — US disclosed
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 — — 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
US-9000154-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-07 — — US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 — — US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 — — US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 — — US disclosed
EP-2702042-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2014-03-05 — — EP disclosed
EP-2630144-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-08-28 — — EP disclosed
WO-2012149236-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-01 — — WO 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 (2 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 HPGD 919/4885LMNA 1918/4885TSHR 2246/4885
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 HPGD 2527/4885LMNA 3285/4885TSHR 36/4885

“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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