SCHEMBL14865769

SCHEMBL14865769

CC(C)(C#N)c1nccc(-c2cncc(-c3cc(-c4ccc(CNC5CCOCC5)cc4)no3)n2)c1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 5/20 0.48
ATM Q13315 1/20 0.46
ATR Q13535 1/20 0.46
PRKD3 O94806 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
TGFBR1 P36897 2/20 0.39
MAP4K4 O95819 1/20 0.34
CCNT1 O60563 1/20 0.33
CHEK1 O14757 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
MTOR P42345 1/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32

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
SCHEMBL14866728 0.89 ATR (0.61) PRKD1ATMATRPRKD3PRKD2
SCHEMBL14865771 0.85 PRKD1 (0.34) PRKD1ATMATRPRKD3PRKD2
SCHEMBL14865695 0.85 PRKD1 (0.52) PRKD1ATMATRPRKD3PRKD2
SCHEMBL14865735 0.81 PRKD1 (0.48) PRKD1ATMATRPRKD3PRKD2
SCHEMBL14865823 0.81 PRKD1 (0.48) PRKD1ATMATRPRKD3PRKD2
SCHEMBL14865636 0.80 PRKD1 (0.46) PRKD1ATMATRPRKD3PRKD2
SCHEMBL14865787 0.78 PRKD1 (0.51) PRKD1ATMATRPRKD3PRKD2
SCHEMBL14865613 0.77 PRKD1 (0.43) PRKD1ATMATRPRKD3PRKD2
SCHEMBL14865718 0.77 PRKD1 (0.43) PRKD1ATMATRPRKD3PRKD2
SCHEMBL14865744 0.75 ATR (0.49) PRKD1ATMATRPRKD3PRKD2

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-20130095193-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-18 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-20130095193-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 PRKD1 89/4885ATM 31/4885ATR 1/4885

“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.