SCHEMBL2712751

SCHEMBL2712751

N#Cc1ccc(-c2cnc(Cc3cccc(C(=O)O)c3)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 7/20 0.49
▸ MAP4K4 O95819 1/20 0.49
▸ MEP1B Q16820 1/20 0.47
▸ ADORA1 P30542 1/20 0.46
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ PARP1 P09874 1/20 0.44
▸ SLC22A12 Q96S37 1/20 0.44
▸ EGLN1 Q9GZT9 2/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ EGLN3 Q9H6Z9 1/20 0.42
▸ KAT6A Q92794 1/20 0.42
▸ PTGER1 P34995 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ VNN1 O95497 1/20 0.41

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
SCHEMBL2712374 0.94 PARP1 (0.47) MRGPRX4MAP4K4MEP1BADORA1CA1
SCHEMBL6031976 0.89 PARP1 (0.51) MAP4K4ADORA1PARP1VNN1
SCHEMBL13555496 0.86 MRGPRX4 (0.55) MRGPRX4MEP1BCA1CA2CA9
SCHEMBL2711241 0.84 MRGPRX4 (0.54) MRGPRX4MAP4K4MEP1BCA1CA2
SCHEMBL2711098 0.81 MRGPRX4 (0.46) MRGPRX4MEP1BADORA1CA1CA2
SCHEMBL2713727 0.79 MRGPRX4 (0.49) MRGPRX4MAP4K4ADORA1CA1CA2
SCHEMBL28995748 0.77 FOLH1 (0.51) MRGPRX4CA1CA2CA9NR4A2
SCHEMBL6031932 0.77 ADORA1 (0.39) MRGPRX4MEP1BADORA1CA1CA2
SCHEMBL2711484 0.76 MEP1B (0.46) MRGPRX4MEP1BADORA1CA1CA2
SCHEMBL2710881 0.76 RAB9A (0.51) MRGPRX4MEP1BCA1CA2CA9

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 MRGPRX4 808/4885MAP4K4 133/4885MEP1B 672/4885

“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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