SCHEMBL1298437

SCHEMBL1298437

Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nc3ccc(COCCN4CCCC4)n23)n[nH]1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.36
AURKA O14965 6/20 0.35
AURKB Q96GD4 3/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NTRK1 P04629 6/20 0.34
DHODH Q02127 1/20 0.33
PLK4 O00444 1/20 0.33
PAK4 O96013 1/20 0.33
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 1/20 0.32
CHRNA3 P32297 1/20 0.31
RET P07949 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL1298967 0.99 AURKA (0.36) IGF1RAURKAAURKBALDH1A1SMN1; SMN2
SCHEMBL1298354 0.93 AURKA (0.39) IGF1RAURKAAURKBNTRK1RET
SCHEMBL1298355 0.90 AURKA (0.37) IGF1RAURKAAURKBNTRK1RET
SCHEMBL1298666 0.88 DHODH (0.36) AURKAAURKBNTRK1DHODHPLK4
SCHEMBL1298720 0.88 DHODH (0.38) AURKAAURKBNTRK1DHODHPLK4
SCHEMBL1298396 0.84 AURKA (0.34) AURKAAURKBNTRK1DHODHPLK4
SCHEMBL1298991 0.83 DHODH (0.37) NTRK1DHODHPLK4PAK4NTRK3
SCHEMBL1298579 0.82 DHODH (0.40) AURKAAURKBNTRK1DHODHPLK4
SCHEMBL1299082 0.82 DHODH (0.40) AURKAAURKBNTRK1DHODHPLK4
SCHEMBL1298510 0.82 DHODH (0.40) AURKAAURKBNTRK1DHODHPLK4

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 4 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 claimed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 WO claimed
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 IGF1R 2487/4885AURKA 601/4885AURKB 507/4885

“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.