SCHEMBL14865751

SCHEMBL14865751

CC(C)(C#N)c1cc(-c2cncc(-c3nnc(-c4ccc(CNCC5COC5)cc4)o3)n2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 0.36
BRAF P15056 7/20 0.36
EGLN2 Q96KS0 1/20 0.36
ATR Q13535 7/20 0.34
PIM1 P11309 3/20 0.33
PIM2 Q9P1W9 2/20 0.33
PIM3 Q86V86 2/20 0.33
MAP4K4 O95819 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
SCHEMBL14865610 0.88 ATR (0.41) RAF1BRAFATRPIM1PIM2
SCHEMBL14866827 0.87 ATR (0.48) ATR
SCHEMBL14865762 0.87 PRKD1 (0.37) RAF1BRAFEGLN2ATR
SCHEMBL14865896 0.86 RAF1 (0.34) RAF1BRAFATRPIM1PIM2
SCHEMBL14865742 0.85 PRKD1 (0.41) RAF1BRAFATRPIM1PIM2
SCHEMBL14865741 0.84 TGFBR1 (0.42) RAF1BRAFEGLN2ATRPIM1
SCHEMBL14865651 0.82 ATR (0.34) RAF1BRAFATRPIM1PIM2
SCHEMBL14865750 0.80 RAF1 (0.36) RAF1BRAFPIM1PIM2PIM3
SCHEMBL14865777 0.79 RAF1 (0.39) RAF1BRAFATR
SCHEMBL14865758 0.79 AXL (0.42) RAF1BRAF

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 RAF1 176/4885BRAF 174/4885EGLN2 3656/4885

“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.