SCHEMBL19681279

SCHEMBL19681279

CCCN(CCN)C(=O)c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 17/20 0.70
BCR P11274 17/20 0.70
TTBK1 Q5TCY1 1/20 0.45
TTBK2 Q6IQ55 1/20 0.45
PIP4K2A P48426 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL19681281 0.93 ABL1 (0.72) ABL1BCRTTBK1TTBK2PIP4K2A
SCHEMBL19677820 0.86 HDAC3 (0.50) ABL1BCRPIP4K2AMEN1NPC1
SCHEMBL18696272 0.83 ABL1 (0.67) ABL1BCRTTBK1TTBK2PIP4K2A
SCHEMBL3395214 0.83 ABL1 (1.00) ABL1BCRTTBK1TTBK2PIP4K2A
SCHEMBL3400471 0.82 ABL1 (1.00) ABL1BCRTTBK1TTBK2PIP4K2A
SCHEMBL3399079 0.82 ABL1 (0.86) ABL1BCRTTBK1TTBK2MEN1
SCHEMBL29533451 0.78 ABL1 (0.81) ABL1BCRTTBK1TTBK2
SCHEMBL3400296 0.78 ABL1 (0.81) ABL1BCRTTBK1TTBK2
SCHEMBL3400322 0.78 ABL1 (1.00) ABL1BCR
SCHEMBL13820438 0.77 ABL1 (0.73) ABL1BCR

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-20170349595-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND ABL AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-12-07 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-20170349595-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND ABL AND METHODS OF USE BCR, ABL1, ABL2 ABL1 2/4885BCR 1/4885TTBK1 1022/4885

“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.