SCHEMBL10178495

SCHEMBL10178495

CC(C)(C#N)n1cc(-c2cncc(-c3cc(-c4ccc(CNC5CC5)cc4)no3)n2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 5/20 0.45
ATR Q13535 14/20 0.43
ATM Q13315 2/20 0.40
PRKD3 O94806 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
JAK2 O60674 1/20 0.33
ABL1 P00519 1/20 0.33
KIT P10721 1/20 0.33
SERPINA2 P20848 1/20 0.33
PIK3R1 P27986 1/20 0.33
FLT4 P35916 1/20 0.33
FLT3 P36888 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
SYK P43405 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
PRKDC P78527 1/20 0.33
MAP3K9 P80192 1/20 0.33
KCNH2 Q12809 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
SCHEMBL10179756 0.92 PRKD1 (0.47) PRKD1ATRATMPRKD3PRKD2
SCHEMBL10177929 0.90 ATR (0.46) ATRATMJAK2ABL1KIT
SCHEMBL18771107 0.87 ATR (0.60) ATRATMJAK2ABL1KIT
SCHEMBL10178645 0.84 ATR (0.45) PRKD1ATRATMJAK2ABL1
SCHEMBL10177721 0.83 ATR (0.56) PRKD1ATRATMPRKD3PRKD2
SCHEMBL10178413 0.81 ATR (0.56) PRKD1ATRATMPRKD3PRKD2
SCHEMBL10178569 0.81 PRKD1 (0.36) PRKD1ATRATMPRKD3PRKD2
SCHEMBL10178418 0.81 ATR (0.48) PRKD1ATRATMPRKD3PRKD2
SCHEMBL18771104 0.80 ATR (0.58) PRKD1ATRATMJAK2ABL1
SCHEMBL18774441 0.80 ATR (0.58) PRKD1ATRATMJAK2ABL1

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.