SCHEMBL2067401

SCHEMBL2067401

CN1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)C[C@@H]1c1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.45
USP30 Q70CQ3 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PDPK1 O15530 2/20 0.41
CCR3 P51677 1/20 0.41
CCKBR P32239 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL2067823 0.99 CCNC (0.47) CCNCCDK8IRAK4USP30NPC1
Glasdegib SCHEMBL24503991 0.91 EPHX1 (0.45) USP30NPC1RAB9APDPK1SMN1; SMN2
Glasdegib SCHEMBL18184932 0.91 EPHX1 (0.45) USP30NPC1RAB9APDPK1SMN1; SMN2
Glasdegib SCHEMBL2068480 0.91 EPHX1 (0.45) USP30NPC1RAB9APDPK1SMN1; SMN2
Glasdegib SCHEMBL27100349 0.91 EPHX1 (0.45) USP30NPC1RAB9APDPK1SMN1; SMN2
Glasdegib SCHEMBL29359708 0.91 EPHX1 (0.45) USP30NPC1RAB9APDPK1SMN1; SMN2
Glasdegib SCHEMBL22104131 0.91 EPHX1 (0.45) USP30NPC1RAB9APDPK1SMN1; SMN2
Glasdegib SCHEMBL2068016 0.90 EPHX1 (0.44) USP30NPC1RAB9APDPK1SMN1; SMN2
Glasdegib SCHEMBL29362720 0.90 EPHX1 (0.44) USP30NPC1RAB9APDPK1SMN1; SMN2
SCHEMBL2068332 0.88 NPC1 (0.47) NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170860-B9 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2017-02-22 EP disclosed
EP-2170860-B1 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2016-11-02 EP disclosed
US-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed
US-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed
US-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2012-06-21 US disclosed
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2012-06-21 US disclosed
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2012-06-21 US disclosed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
EP-2170860-A2 BENZIMIDAZOLE DERIVATIVES Pfizer Inc. (US) 2010-04-07 EP disclosed
WO-2009004427-A2 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2009-01-08 WO disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 US disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 US disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 US 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-20090005416-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 CCNC 162/4885CDK8 1590/4885IRAK4 2231/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 CCNC 162/4885CDK8 1590/4885IRAK4 2231/4885

“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.