SCHEMBL10178413

SCHEMBL10178413

O=c1ccc(-c2cncc(-c3cc(-c4ccc(CNC5CC5)cc4)no3)n2)cn1C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 10/20 0.56
ATM Q13315 1/20 0.42
PRKD1 Q15139 5/20 0.40
BMPR1B O00238 3/20 0.39
BMPR1A P36894 3/20 0.39
ACVRL1 P37023 3/20 0.39
ACVR1 Q04771 3/20 0.39
TGFBR1 P36897 2/20 0.39
PRKD3 O94806 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL10177626 0.90 ATR (0.58) ATRATMBMPR1BBMPR1AACVRL1
SCHEMBL10178380 0.88 ATR (0.67) ATRATMBMPR1BBMPR1AACVRL1
SCHEMBL10177721 0.86 ATR (0.56) ATRATMPRKD1BMPR1BBMPR1A
SCHEMBL18771089 0.85 ATR (0.75) ATRATM
SCHEMBL10178382 0.85 ATR (0.77) ATRATMPRKD1BMPR1BBMPR1A
SCHEMBL10178405 0.85 ATR (0.74) ATRBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL10178418 0.83 ATR (0.48) ATRATMPRKD1BMPR1BBMPR1A
SCHEMBL10177677 0.83 ATR (0.52) ATRATMPRKD1PRKD3PRKD2
SCHEMBL10179427 0.82 ATR (0.51) ATRATMPRKD1BMPR1BBMPR1A
SCHEMBL10178495 0.81 PRKD1 (0.45) ATRATMPRKD1PRKD3PRKD2

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.