SCHEMBL10179756

SCHEMBL10179756

CC(C)(C#N)n1cc(-c2cncc(-c3cc(-c4ccc(CNC5CCOC5)cc4)no3)n2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 5/20 0.47
ATR Q13535 12/20 0.42
ATM Q13315 1/20 0.42
PRKD3 O94806 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
EGLN2 Q96KS0 1/20 0.35
METTL3 Q86U44 1/20 0.34
MTOR P42345 1/20 0.33

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
SCHEMBL10178495 0.92 PRKD1 (0.45) PRKD1ATRATMPRKD3PRKD2
SCHEMBL18771104 0.88 ATR (0.58) PRKD1ATRATMMTOR
SCHEMBL18774441 0.88 ATR (0.58) PRKD1ATRATMMTOR
SCHEMBL10177929 0.86 ATR (0.46) ATRATMMTOR
SCHEMBL10178350 0.85 ATR (0.52) PRKD1ATRATMPRKD3PRKD2
SCHEMBL14865735 0.81 PRKD1 (0.48) PRKD1ATRATMPRKD3PRKD2
SCHEMBL14865823 0.81 PRKD1 (0.48) PRKD1ATRATMPRKD3PRKD2
SCHEMBL10178645 0.80 ATR (0.45) PRKD1ATRATMMTOR
SCHEMBL18771107 0.80 ATR (0.60) ATRATMMTOR
SCHEMBL14865718 0.77 PRKD1 (0.43) PRKD1ATRATMPRKD3PRKD2

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 PRKD1 89/4885ATR 1/4885ATM 32/4885

“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.