SCHEMBL10179427

SCHEMBL10179427

CC(CN)n1cc(-c2cncc(-c3cc(-c4ccc(CNC5CC5)cc4)no3)n2)ccc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 16/20 0.51
ATM Q13315 2/20 0.46
PRKD1 Q15139 3/20 0.41
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
PRKD3 O94806 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39
JAK2 O60674 1/20 0.37
ABL1 P00519 1/20 0.37
KIT P10721 1/20 0.37
SERPINA2 P20848 1/20 0.37
PIK3R1 P27986 1/20 0.37
FLT4 P35916 1/20 0.37
FLT3 P36888 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
SYK P43405 1/20 0.37

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
SCHEMBL10177721 0.92 ATR (0.56) ATRATMPRKD1BMPR1BBMPR1A
SCHEMBL10178418 0.88 ATR (0.48) ATRATMPRKD1BMPR1BBMPR1A
SCHEMBL10178350 0.85 ATR (0.52) ATRATMPRKD1BMPR1BBMPR1A
SCHEMBL10178413 0.82 ATR (0.56) ATRATMPRKD1BMPR1BBMPR1A
SCHEMBL10178449 0.82 ATR (0.44) ATRATMPRKD1BMPR1BBMPR1A
SCHEMBL10178547 0.82 ATR (0.47) ATRATMPRKD1BMPR1BBMPR1A
SCHEMBL10177729 0.81 ATR (0.56) ATRATMBMPR1BBMPR1ATGFBR1
SCHEMBL10177741 0.81 ATR (0.52) ATRATMBMPR1BBMPR1ATGFBR1
SCHEMBL10177561 0.81 ATR (0.61) ATRATMBMPR1BBMPR1ATGFBR1
SCHEMBL10177591 0.81 ATR (0.57) ATRATMBMPR1BBMPR1ATGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 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 (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-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 ATR 1/4885ATM 32/4885PRKD1 89/4885

“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.