SCHEMBL16609148

SCHEMBL16609148

FCc1ccc(Cn2cc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc3n2)cc1F

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 19/20 0.66
BCR P11274 19/20 0.66
TTBK1 Q5TCY1 1/20 0.44
TTBK2 Q6IQ55 1/20 0.44

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
SCHEMBL3395255 0.89 ABL1 (0.66) ABL1BCRTTBK1TTBK2
SCHEMBL19681257 0.88 ABL1 (0.64) ABL1BCRTTBK1TTBK2
SCHEMBL3400298 0.84 ABL1 (0.80) ABL1BCRTTBK1TTBK2
SCHEMBL3400333 0.83 ABL1 (0.73) ABL1BCRTTBK1TTBK2
SCHEMBL3400748 0.83 ABL1 (0.73) ABL1BCRTTBK1TTBK2
SCHEMBL13820275 0.83 ABL1 (0.73) ABL1BCRTTBK1TTBK2
SCHEMBL3398664 0.80 ABL1 (1.00) ABL1BCRTTBK1TTBK2
SCHEMBL3396606 0.79 ABL1 (0.80) ABL1BCRTTBK1TTBK2
SCHEMBL3396836 0.79 ABL1 (1.00) ABL1BCRTTBK1TTBK2
SCHEMBL19681282 0.79 ABL1 (0.84) ABL1BCRTTBK1TTBK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670214-B2 Small molecule myristate inhibitors of Bcr-abl and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-06-06 US disclosed
US-20150094275-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-02 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-20150094275-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 ABL1 2/4885BCR 1/4885TTBK1 1639/4885

“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.