SCHEMBL14865742

SCHEMBL14865742

CC(C)(C#N)c1cc(-c2cncc(-c3nnc(-c4ccc(CNC5CCOCC5)cc4)o3)n2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 5/20 0.41
TGFBR1 P36897 1/20 0.40
CCNT1 O60563 1/20 0.38
ATR Q13535 2/20 0.37
ATM Q13315 1/20 0.37
RAF1 P04049 6/20 0.37
BRAF P15056 2/20 0.37
PRKD3 O94806 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
MAP4K4 O95819 2/20 0.37
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34

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
SCHEMBL14865741 0.91 TGFBR1 (0.42) PRKD1TGFBR1CCNT1ATRRAF1
SCHEMBL14865786 0.90 RAF1 (0.38) PRKD1TGFBR1CCNT1ATRATM
SCHEMBL14866870 0.88 ATR (0.50) ATRATM
SCHEMBL14865610 0.86 ATR (0.41) ATRRAF1BRAFPIM1PIM3
SCHEMBL14865695 0.86 PRKD1 (0.52) PRKD1TGFBR1CCNT1ATRATM
SCHEMBL14865751 0.85 RAF1 (0.36) ATRRAF1BRAFMAP4K4PIM1
SCHEMBL14865746 0.84 TGFBR1 (0.41) PRKD1TGFBR1CCNT1ATRATM
SCHEMBL14865896 0.82 RAF1 (0.34) ATRRAF1BRAFPIM1PIM3
SCHEMBL14865823 0.81 PRKD1 (0.48) PRKD1TGFBR1ATRATMRAF1
SCHEMBL14865735 0.81 PRKD1 (0.48) PRKD1TGFBR1ATRATMRAF1

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 89/4885TGFBR1 2151/4885CCNT1 1322/4885

“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.