SCHEMBL12102432

SCHEMBL12102432

CC(=O)NCc1cc2c(Nc3cc(C)[nH]n3)nc(C(F)(F)c3ccc(F)cc3)nn2c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.43
JAK2 O60674 2/20 0.43
RET P07949 2/20 0.42
AURKA O14965 5/20 0.42
AURKB Q96GD4 2/20 0.42
PLK4 O00444 2/20 0.41
PAK4 O96013 1/20 0.41
HDAC1 Q13547 1/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39
SYK P43405 2/20 0.38

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
SCHEMBL1298697 0.93 NTRK1 (0.43) NTRK1JAK2RETAURKAAURKB
SCHEMBL1298456 0.92 NTRK1 (0.42) NTRK1JAK2RETAURKAAURKB
SCHEMBL1298553 0.91 JAK2 (0.42) NTRK1JAK2RETAURKAAURKB
SCHEMBL12105304 0.88 NTRK1 (0.43) NTRK1JAK2AURKAAURKBPLK4
SCHEMBL1298313 0.88 NTRK1 (0.42) NTRK1JAK2AURKAAURKBPLK4
SCHEMBL12102430 0.86 NTRK1 (0.43) NTRK1JAK2AURKAAURKBPLK4
SCHEMBL12102601 0.86 AURKA (0.47) NTRK1JAK2RETAURKAAURKB
SCHEMBL12102611 0.86 JAK2 (0.40) NTRK1JAK2RETAURKAAURKB
SCHEMBL12105316 0.86 AURKA (0.41) NTRK1JAK2AURKAAURKBPLK4
SCHEMBL12102439 0.85 AURKA (0.42) NTRK1JAK2RETAURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US disclosed
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US disclosed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 WO 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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 NTRK1 1980/4885JAK2 1/4885RET 360/4885

“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.