SCHEMBL14153376

SCHEMBL14153376

Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3I)s2)cc(N2CCN(CCO)CC2)n1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.83
SRC P12931 5/20 0.83
PKMYT1 Q99640 3/20 0.83
EPHB6 O15197 2/20 0.83
EGFR P00533 2/20 0.83
LCK P06239 2/20 0.83
FYN P06241 2/20 0.83
CSF1R P07333 2/20 0.83
YES1 P07947 2/20 0.83
LYN P07948 2/20 0.83
RET P07949 2/20 0.83
HCK P08631 2/20 0.83
KIT P10721 2/20 0.83
BCR P11274 2/20 0.83
BRAF P15056 2/20 0.83
EPHA1 P21709 2/20 0.83
EPHA2 P29317 2/20 0.83
EPHA3 P29320 2/20 0.83
EPHA8 P29322 2/20 0.83
EPHB2 P29323 2/20 0.83

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
SCHEMBL31634945 0.94 ABL1 (0.89) ABL1SRCPKMYT1EPHB6EGFR
SCHEMBL13378598 0.94 ABL1 (0.89) ABL1SRCPKMYT1EPHB6EGFR
SCHEMBL18362284 0.92 ABL1 (0.81) ABL1SRCPKMYT1EPHB6EGFR
SCHEMBL28427234 0.92 ABL1 (0.84) ABL1SRCPKMYT1EPHB6EGFR
SCHEMBL28426331 0.92 ABL1 (0.84) ABL1SRCPKMYT1EPHB6EGFR
Dasatinib Anhydrous SCHEMBL29381185 0.91 ABL1 (1.00) ABL1SRCPKMYT1EPHB6EGFR
Dasatinib Anhydrous SCHEMBL8226 0.91 ABL1 (1.00) ABL1SRCPKMYT1EPHB6EGFR
SCHEMBL12299260 0.91 ABL1 (0.83) ABL1SRCPKMYT1EPHB6EGFR
Dasatinib Anhydrous SCHEMBL28350326 0.91 ABL1 (1.00) ABL1SRCPKMYT1EPHB6EGFR
Dasatinib Anhydrous SCHEMBL20857008 0.90 ABL1 (0.98) ABL1SRCPKMYT1EPHB6EGFR

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-20120302750-A1 PROCESS FOR PREPARING 2-AMINOTHIAZOLE-5-AROMATIC CARBOXAMIDES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-11-29 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-20120302750-A1 PROCESS FOR PREPARING 2-AMINOTHIAZOLE-5-AROMATIC CARBOXAMIDES AS KINASE INHIBITORS MAP3K5, MAP3K2, MAP3K20 ABL1 26/4885SRC 54/4885PKMYT1 84/4885

“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.