SCHEMBL1646176

SCHEMBL1646176

CN1CCN(S(=O)(=O)c2ccc(NCc3ccccc3)c(N)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
PDE5A O76074 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 1/20 0.50
USP2 O75604 1/20 0.48
PKM P14618 1/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HTR6 P50406 1/20 0.45
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL15468341 0.87 POLB (0.52) POLBPDE5ASMN1; SMN2TSHRUSP2
SCHEMBL992901 0.83 PKM (0.66) POLBSMN1; SMN2PKMMAPTSIRT6
SCHEMBL17749304 0.80 ALOX15 (0.66) POLBPDE5ASMN1; SMN2TSHRPKM
SCHEMBL6055083 0.79 VCAM1 (0.69) SMN1; SMN2PKMMAPTSIRT6ALDH1A1
SCHEMBL13374030 0.79 GLA (0.49) PDE5ATP53MAPTALDH1A1LMNA
SCHEMBL24254528 0.75 ALDH1A1 (0.50) POLBSMN1; SMN2PKMTP53MAPT
SCHEMBL992863 0.75 ATM (0.58) POLBSMN1; SMN2TSHRUSP2PKM
SCHEMBL17749372 0.73 KMT2A (0.55) POLBPKMAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL22659134 0.71 RAB9A (0.66) POLBSMN1; SMN2USP2PKMAPOBEC3A
SCHEMBL3936569 0.70 POLB (1.00) POLBSMN1; SMN2TSHRUSP2PKM

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-2305250-B1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUTICS LTD (GB) 2014-03-26 EP disclosed
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2014-01-09 US disclosed
EP-1648426-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2014-01-08 EP disclosed
US-20110224203-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2011-09-15 US disclosed
US-7977477-B2 Benzimidazole derivatives and their use as protein kinase inhibitors ASTEX THERAPEUTICS, LIMITED (GB) 2011-07-12 US disclosed
EP-2305250-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2011-04-06 EP disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
EP-1648426-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 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 (3 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-20110224203-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 POLB 612/4885PDE5A 3041/4885SMN1; SMN2 3663/4885
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 POLB 612/4885PDE5A 3041/4885SMN1; SMN2 3663/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 POLB 672/4885PDE5A 3037/4885SMN1; SMN2 4105/4885

“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.