SCHEMBL2729058

SCHEMBL2729058

COC(=O)c1cccc(Cc2nnc(-c3ccc(C#N)cc3)o2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.52
▸ MRGPRX4 Q96LA9 1/20 0.49
▸ NPC1 O15118 6/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ CD74 P04233 1/20 0.44
▸ MIF P14174 1/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43
▸ HPGD P15428 4/20 0.43
▸ TSHR P16473 4/20 0.43
▸ POLB P06746 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ PLAU P00749 1/20 0.42

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
SCHEMBL2710881 0.87 RAB9A (0.51) MRGPRX4NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL5638547 0.79 HDAC6 (0.64) GSK3BNPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL2729479 0.79 MRGPRX4 (0.49) GSK3BMRGPRX4NPC1CD74MIF
SCHEMBL2727659 0.77 TSHR (0.51) GSK3BNPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL2726116 0.75 MRGPRX4 (0.48) MRGPRX4NPC1SMN1; SMN2RAB9ACD74
SCHEMBL2728201 0.75 CD74 (0.79) GSK3BNPC1RAB9ACD74MIF
SCHEMBL23294771 0.75 HDAC6 (0.71) GSK3BNPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL8881306 0.74 SMN1; SMN2 (0.53) GSK3BNPC1SMN1; SMN2MAPTPOLB
SCHEMBL7825418 0.74 PLAU (0.67) MRGPRX4PLAUCYP11B1CYP11B2
SCHEMBL6165586 0.73 NOTUM (0.54) GSK3BNPC1SMN1; SMN2RAB9AALDH1A1

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 GSK3B 145/4885MRGPRX4 808/4885NPC1 677/4885

“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