SCHEMBL8964083

SCHEMBL8964083

Nc1ncc(Br)cc1C(=O)c1ncc(C(=O)NCc2ccccc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
DHFR P00374 1/20 0.42
MMP13 P45452 1/20 0.41
PKM P14618 1/20 0.40
CYP2D6 P10635 1/20 0.40
PPARA Q07869 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
CSNK2A2 P19784 2/20 0.40
KDR P35968 2/20 0.40
CSNK2B P67870 2/20 0.40
CSNK2A1 P68400 2/20 0.40
PLK1 P53350 1/20 0.40
PTGS2 P35354 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 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
SCHEMBL9008065 0.84 ATR (0.48)
SCHEMBL8963960 0.80 HDAC4 (0.57) SMN1; SMN2HPGDKMT2AL3MBTL1HDAC3
SCHEMBL11650826 0.76 HPGD (0.55) SMN1; SMN2HPGDMMP13PPARACSNK2A2
SCHEMBL920559 0.75 MAPK8 (0.50) SMN1; SMN2HPGDKMT2AMMP13PPARA
SCHEMBL23555768 0.72 AKR1B1 (0.50) SMN1; SMN2HPGDKMT2AKDRL3MBTL1
SCHEMBL1585665 0.72 CNR2 (0.49) SMN1; SMN2HPGDKMT2AL3MBTL1ALDH1A1
SCHEMBL1516765 0.71 MAPT (0.61) SMN1; SMN2KMT2AMAPK1ALDH1A1
SCHEMBL3817565 0.70 CSNK2A2 (0.53) SMN1; SMN2HPGDMMP13CYP2D6PPARA
SCHEMBL12788248 0.70 PPARA (0.69) SMN1; SMN2HPGDKMT2AMMP13PPARA
SCHEMBL31026201 0.68 SMN1; SMN2 (0.58) SMN1; SMN2HPGDKMT2AMMP13PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 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 (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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 SMN1; SMN2 1649/4885HPGD 2526/4885KMT2A 1042/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 SMN1; SMN2 1649/4885HPGD 2526/4885KMT2A 1042/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 SMN1; SMN2 1649/4885HPGD 2526/4885KMT2A 1042/4885

“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.