SCHEMBL16363301

SCHEMBL16363301

Cc1ccc(Nc2ncnc3nn(Cc4cccc(Br)c4)cc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.51
BCR P11274 4/20 0.51
ADORA2A P29274 1/20 0.45
SRC P12931 1/20 0.44
EGFR P00533 9/20 0.43
MAPK1 P28482 2/20 0.42
PDGFRB P09619 1/20 0.41
FBP1 P09467 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
ERBB2 P04626 2/20 0.41
EPHB2 P29323 1/20 0.41

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
SCHEMBL16363286 0.88 ABL1 (0.51) ABL1BCRADORA2AEGFRMAPK1
SCHEMBL16363285 0.87 ABL1 (0.56) ABL1BCRADORA2AMAPK1NPC1
SCHEMBL3400748 0.84 ABL1 (0.73) ABL1BCR
SCHEMBL16363291 0.82 ABL1 (0.72) ABL1BCRADORA2AEGFRMAPK1
SCHEMBL16363274 0.78 ABL1 (0.53) ABL1BCRADORA2AMAPK1NPC1
SCHEMBL16363262 0.78 ABL1 (0.69) ABL1BCREGFRMAPK1NPC1
SCHEMBL19677817 0.78 ABL1 (0.46) ABL1BCRADORA2AEGFRMAPK1
SCHEMBL16363290 0.78 ABL1 (0.50) ABL1BCRADORA2AEGFRMAPK1
SCHEMBL19677815 0.77 ABL1 (0.56) ABL1BCREGFRMAPK1NPC1
SCHEMBL16363251 0.77 ALDH1A1 (0.66) ABL1BCRSRCMAPK1NPC1

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 5 patents. 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
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
US-8921336-B2 Small molecule myristate inhibitors of BCR-ABL and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-12-30 US disclosed
US-20110312908-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE THE SCRIPPS RESEARCH INSTITUTE 2011-12-22 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 (3 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 1/4885ADORA2A 4668/4885
US-20110312908-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 ABL1 2/4885BCR 1/4885ADORA2A 4759/4885
US-20170349595-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND ABL AND METHODS OF USE BCR, ABL1, ABL2 ABL1 2/4885BCR 1/4885ADORA2A 4816/4885

“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.