SCHEMBL2964267

SCHEMBL2964267

CN1CCN(S(=O)(=O)c2ccc(I)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.69
POLB P06746 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.67
USP2 O75604 1/20 0.67
TSHR P16473 3/20 0.65
KMT2A Q03164 2/20 0.63
HTT P42858 2/20 0.63
MEN1 O00255 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
LMNA P02545 1/20 0.63
APOBEC3A P31941 2/20 0.58
APOBEC3G Q9HC16 2/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CYP2C9 P11712 1/20 0.54
NPC1 O15118 1/20 0.53
PKM P14618 1/20 0.53
PKLR P30613 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL15256574 0.93 KMT2A (0.72) ATMPOLBSMN1; SMN2USP2TSHR
SCHEMBL7564728 0.83 KMT2A (0.84) ATMPOLBSMN1; SMN2USP2TSHR
SCHEMBL9386579 0.83 KMT2A (0.84) ATMPOLBSMN1; SMN2USP2TSHR
SCHEMBL8200020 0.83 KMT2A (0.84) ATMPOLBSMN1; SMN2USP2TSHR
SCHEMBL1948477 0.82 USP2 (0.76) POLBSMN1; SMN2USP2TSHRKMT2A
SCHEMBL7106543 0.81 ATM (0.69) ATMPOLBSMN1; SMN2USP2TSHR
SCHEMBL8728928 0.81 ATM (0.69) ATMPOLBSMN1; SMN2USP2TSHR
SCHEMBL424172 0.81 PKM (0.71) ATMPOLBSMN1; SMN2USP2TSHR
SCHEMBL160108 0.81 ATM (0.69) ATMPOLBSMN1; SMN2USP2TSHR
SCHEMBL1156725 0.81 ATM (0.69) ATMPOLBSMN1; SMN2USP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3012250-B1 ISOQUINOLINE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2017-11-08 EP disclosed
EP-2774925-A1 Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2014-09-10 EP disclosed
US-7776867-B2 Furanopyrimidines AMGEN INC. (US) 2010-08-17 US disclosed
US-7776867-B2 Furanopyrimidines AMGEN INC. (US) 2010-08-17 US disclosed
US-7776867-B2 Furanopyrimidines AMGEN INC. (US) 2010-08-17 US disclosed
US-7494994-B2 Phenylpyridylpiperazine compounds LES LABORATOIRES SERVIER (FR) 2009-02-24 US disclosed
EP-1768986-A2 FURANOPYRIMIDINES Amgen Inc. (US) 2007-04-04 EP disclosed
US-20060258670-A1 New phenylpyridylpiperazine compounds LES LABORATOIRES SERVIER (FR) 2006-11-16 US disclosed
WO-2006120349-A1 NOVEL PHENYL-PYRIDINYL-PIPERAZINE DERIVATIVES, A METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES LES LABORATOIRES SERVIER (FR) 2006-11-16 WO disclosed
EP-1721897-A1 Phenylpyridinylpiperazin derivatives, the process to make them and the pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2006-11-15 EP disclosed
US-20060040961-A1 Furanopyrimidines AMGEN INC. 2006-02-23 US disclosed
WO-2006004658-A2 FURANOPYRIMIDINES AMGEN INC. (US) 2006-01-12 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 (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-20060258670-A1 New phenylpyridylpiperazine compounds HRH4, HRH3, HRH2 ATM 3935/4885POLB 4224/4885SMN1; SMN2 3085/4885
US-20060040961-A1 Furanopyrimidines TYMS, IDO1, NFATC1 ATM 2293/4885POLB 1688/4885SMN1; SMN2 1350/4885

“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.