SCHEMBL9008065

SCHEMBL9008065

Nc1ncc(Br)cc1C(=O)c1ncc(C(=O)Nc2ccccc2)s1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATR Q13535 9/20 0.48
PTPN1 P18031 1/20 0.46
PRKCI P41743 2/20 0.45
HSPD1 P10809 1/20 0.41
HSPE1 P61604 1/20 0.41
PRKDC P78527 4/20 0.41
TBK1 Q9UHD2 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
PTPN11 Q06124 1/20 0.39
MAPT P10636 1/20 0.39
IKBKE Q14164 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL8964083 0.84 SMN1; SMN2 (0.47)
SCHEMBL2637005 0.83 PRKCI (0.60) ATRPRKCIHSPD1HSPE1PRKDC
SCHEMBL8963997 0.79 MEN1 (0.55) PTPN1MAPT
SCHEMBL8963960 0.76 HDAC4 (0.57)
SCHEMBL11925388 0.74 PTPN1 (0.61) ATRPTPN1MAPK13MAPK12MAPK11
SCHEMBL1516765 0.73 MAPT (0.61) MAPK14MAPT
SCHEMBL12455939 0.73 PTPN1 (0.59) ATRPTPN1PRKCIPRKDCPTPN11
SCHEMBL14059394 0.71 PRKCI (0.66) PRKCITBK1IKBKE
SCHEMBL6034744 0.71 SORT1 (0.63) PRKCIMAPT
SCHEMBL1472005 0.70 HSPD1 (0.55) ATRPRKCIHSPD1HSPE1

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 7 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-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-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 ATR 489/4885PTPN1 583/4885PRKCI 30/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 ATR 489/4885PTPN1 583/4885PRKCI 30/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 ATR 489/4885PTPN1 583/4885PRKCI 30/4885

“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.