Sugi Predict

Sugi Predict / Compounds / SCHEMBL4415166

SCHEMBL4415166

SCHEMBL4415166

COc1cc2c(c(OC)c1-c1cccnc1)C(c1cccc(C#N)c1)=NCC(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK10 O94804 2/20 0.45
▸ SLK Q9H2G2 2/20 0.45
▸ CYP11B1 P15538 3/20 0.43
▸ CYP11B2 P19099 3/20 0.43
▸ CYP19A1 P11511 2/20 0.43
▸ TUBB4A P04350 2/20 0.39
▸ TUBB P07437 2/20 0.39
▸ TUBA3C P0DPH7 2/20 0.39
▸ TUBA1B P68363 2/20 0.39
▸ TUBA4A P68366 2/20 0.39
▸ TUBB4B P68371 2/20 0.39
▸ TUBB3 Q13509 2/20 0.39
▸ TUBB2A Q13885 2/20 0.39
▸ TUBB8 Q3ZCM7 2/20 0.39
▸ TUBA3E Q6PEY2 2/20 0.39
▸ TUBA1A Q71U36 2/20 0.39
▸ TUBA1C Q9BQE3 2/20 0.39
▸ TUBB6 Q9BUF5 2/20 0.39
▸ TUBB2B Q9BVA1 2/20 0.39
▸ TUBB1 Q9H4B7 2/20 0.39

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
SCHEMBL4415391 0.97 STK10 (0.43) STK10SLKCYP11B1CYP11B2CYP19A1
SCHEMBL4421818 0.91 TUBB4A (0.43) STK10SLKTUBB4ATUBBTUBA3C
SCHEMBL4410842 0.88 TUBB4A (0.41) STK10SLKTUBB4ATUBBTUBA3C
SCHEMBL4709545 0.84 TUBB4A (0.42) STK10SLKTUBB4ATUBBTUBA3C
SCHEMBL4414072 0.83 MKNK1 (0.47) CYP11B1CYP11B2CYP19A1TUBB4ATUBB
SCHEMBL4412481 0.82 CYP11B1 (0.47) STK10SLKCYP11B1CYP11B2CYP19A1
SCHEMBL4707963 0.81 TUBB4A (0.47) STK10SLKTUBB4ATUBBTUBA3C
SCHEMBL4709805 0.80 CREBBP (0.43) STK10SLKTUBB4ATUBBTUBA3C
SCHEMBL4418594 0.79 GABRA1 (0.44) STK10SLKTUBB4ATUBBTUBA3C
SCHEMBL4412499 0.79 GABRA1 (0.51) CYP11B1CYP11B2CYP19A1TUBB4ATUBB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215752-A1 Compounds, preparation and therapeutic use thereof BAY CITY CAPITAL LLC 2009-08-27 — — US claimed
EP-1910315-A2 BENZODIAZEPINE DERIVATIVES, THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF NEURO3D (FR) 2008-04-16 — — EP claimed
WO-2007026254-A2 BENZODIAZEPINE DERIVATIVES , THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF NEURO3D (FR) 2007-03-08 — — WO claimed
EP-1749824-A1 Benzodiazepine derivatives, their preparation and the therapeutic use thereof NEURO3D (FR) 2007-02-07 — — EP claimed
US-20090215752-A1 Compounds, preparation and therapeutic use thereof BAY CITY CAPITAL LLC 2009-08-27 — — US disclosed
EP-1910315-A2 BENZODIAZEPINE DERIVATIVES, THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF NEURO3D (FR) 2008-04-16 — — EP disclosed
WO-2007026254-A2 BENZODIAZEPINE DERIVATIVES , THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF NEURO3D (FR) 2007-03-08 — — WO disclosed
EP-1749824-A1 Benzodiazepine derivatives, their preparation and the therapeutic use thereof NEURO3D (FR) 2007-02-07 — — EP 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-20090215752-A1 Compounds, preparation and therapeutic use thereof PDE12, PDE4B, PDE2A STK10 4081/4885SLK 3563/4885CYP11B1 31/4885

“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.