SCHEMBL14865744

SCHEMBL14865744

OCc1cc(-c2cncc(-c3cc(-c4ccc(CNC5CCOCC5)cc4)no3)n2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.49
ATM Q13315 1/20 0.49
PRKD1 Q15139 5/20 0.48
PRKD3 O94806 1/20 0.45
PRKD2 Q9BZL6 1/20 0.45
TGFBR1 P36897 2/20 0.44
CCNT1 O60563 1/20 0.37
MAP4K4 O95819 1/20 0.35
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
MTOR P42345 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 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
SCHEMBL14865787 0.89 PRKD1 (0.51) ATRATMPRKD1PRKD3PRKD2
SCHEMBL14866803 0.87 ATR (0.67) ATRATMPRKD1PRKD3PRKD2
SCHEMBL14865695 0.82 PRKD1 (0.52) ATRATMPRKD1PRKD3PRKD2
SCHEMBL14865823 0.78 PRKD1 (0.48) ATRATMPRKD1PRKD3PRKD2
SCHEMBL14865735 0.78 PRKD1 (0.48) ATRATMPRKD1PRKD3PRKD2
SCHEMBL14866897 0.77 ATR (0.64) ATRATMPRKD1PRKD3PRKD2
SCHEMBL14865636 0.76 PRKD1 (0.46) ATRATMPRKD1PRKD3PRKD2
SCHEMBL14865769 0.75 PRKD1 (0.48) ATRATMPRKD1PRKD3PRKD2
SCHEMBL10178131 0.75 ATR (0.54) ATRATMPRKD1PRKD3PRKD2
SCHEMBL14865746 0.73 TGFBR1 (0.41) 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-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 ATR 1/4885ATM 31/4885PRKD1 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.