SCHEMBL6031976

SCHEMBL6031976

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.51
▸ ADORA1 P30542 3/20 0.46
▸ ATIC P31939 1/20 0.46
▸ MAP4K4 O95819 1/20 0.43
▸ VNN1 O95497 1/20 0.43
▸ PARP2 Q9UGN5 1/20 0.42
▸ EGLN2 Q96KS0 1/20 0.41
▸ MYC P01106 4/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ CACNA1G O43497 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ AR P10275 1/20 0.40
▸ NSD2 O96028 1/20 0.40

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 0.96 PARP1 (0.47) PARP1ADORA1ATICMAP4K4VNN1
SCHEMBL2712751 0.89 MRGPRX4 (0.49) PARP1ADORA1MAP4K4VNN1
SCHEMBL2710646 0.84 PARP1 (0.45) PARP1ADORA1VNN1FYN
SCHEMBL2710917 0.82 MYC (0.47) PARP1ADORA1ATICPARP2MYC
SCHEMBL2713727 0.80 MRGPRX4 (0.49) PARP1ADORA1MAP4K4
SCHEMBL3859503 0.76 GSK3B (0.50) ATICVNN1KDM1AAR
SCHEMBL3721296 0.76 KAT6A (0.56) PARP1ATICPARP2EGLN2MYC
SCHEMBL2726368 0.75 MYC (0.45) PARP1ADORA1ATICPARP2MYC
SCHEMBL8956752 0.74 PARP2 (0.55) PARP1MAP4K4PARP2EGLN2MYC
SCHEMBL2711241 0.73 MRGPRX4 (0.54) MAP4K4

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 9 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
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

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 PARP1 1134/4885ADORA1 1786/4885ATIC 3311/4885

“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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