SCHEMBL10310885

SCHEMBL10310885

C#Cc1cc(Br)cnc1C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 2/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
DYRK1A Q13627 2/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL17403581 0.79 CHRNB2 (0.40) SMN1; SMN2HTTKMT2AKDM4E
SCHEMBL31200432 0.79 CHRNB2 (0.40) SMN1; SMN2HTTKMT2AKDM4E
SCHEMBL10310875 0.78 SMN1; SMN2 (0.34) SMN1; SMN2HTTKMT2AHSD17B10KDM4E
SCHEMBL27489219 0.76 HTT (0.32) SMN1; SMN2HTTKMT2AHSD17B10
SCHEMBL13852138 0.75 HTT (0.34) HTTKMT2ADYRK1A
SCHEMBL3576456 0.75 PTPN1 (0.33) BRD4
SCHEMBL13726594 0.75 BRD4 (0.31) BRD4
SCHEMBL10017418 0.75 KMT2A (0.54) SMN1; SMN2HTTKMT2AKDM4EALDH1A1
SCHEMBL9954706 0.75 PIK3CA (0.33) HTTKMT2AMAPT
SCHEMBL15482938 0.72 HTT (0.39) HTTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150239874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2015-08-27 US disclosed
US-9096584-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-08-04 US disclosed
US-20120177748-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 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 (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-20150239874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K20 SMN1; SMN2 1533/4885HTT 2450/4885KMT2A 1879/4885
US-20120177748-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K20 SMN1; SMN2 1533/4885HTT 2450/4885KMT2A 1879/4885

“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.