SCHEMBL1733453

SCHEMBL1733453

CSc1nc(C(N)=O)cc(-c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.57
HTT P42858 2/20 0.53
GLA P06280 2/20 0.53
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 4/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 3/20 0.50
POLB P06746 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL1735055 0.88 MCL1 (0.50) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL13133556 0.80 MAPT (0.58) KDM4EHTTALDH1A1HSD17B10HPGD
SCHEMBL4829425 0.79 KDM4E (0.60) KDM4EHTTGLAALDH1A1HSD17B10
SCHEMBL1734398 0.78 CHRNA7 (0.49) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL1733454 0.76 HSP90AA1 (0.44) KDM4EGLAALDH1A1HSD17B10HPGD
SCHEMBL1734250 0.76 KDM4E (0.72) KDM4EHTTGLAALDH1A1HSD17B10
SCHEMBL1733664 0.76 TDP1 (0.65) KDM4EHTTGLAALDH1A1HSD17B10
SCHEMBL14267870 0.76 ADORA2A (0.59) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL7525473 0.76 MAPT (0.51) KDM4EHTTALDH1A1HSD17B10HPGD
SCHEMBL29502715 0.76 ADORA2A (0.59) KDM4EALDH1A1HSD17B10HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822451-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-8822451-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-8822451-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
EP-1891018-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2011-11-16 EP disclosed
EP-1891018-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2011-11-16 EP disclosed
WO-2011131686-A1 A THERMALLY CONTROLLED ASSEMBLY NAPATECH A/S (DK) 2011-10-27 WO disclosed
EP-1891018-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals, Inc. (US) 2008-02-27 EP disclosed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US disclosed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US disclosed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US disclosed
WO-2006127588-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-30 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-20070105833-A1 Modulators of ATP-binding cassette transporters ABCC4, CFTR, ABCC2 KDM4E 3910/4885HTT 2437/4885GLA 4678/4885

“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.