SCHEMBL1298385

SCHEMBL1298385

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.49
AURKB Q96GD4 5/20 0.49
RET P07949 1/20 0.40
SYK P43405 2/20 0.39
CYP2C19 P33261 4/20 0.38
JAK2 O60674 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C8 P10632 3/20 0.38
CYP2C9 P11712 3/20 0.38
JAK1 P23458 3/20 0.38
TYK2 P29597 3/20 0.38
JAK3 P52333 3/20 0.38
ADORA3 P0DMS8 2/20 0.38
CYP1A2 P05177 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37

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
SCHEMBL1298729 0.91 AURKA (0.46) AURKAAURKBRETSYK
SCHEMBL1298420 0.91 AURKA (0.49) AURKAAURKBRETSYKCYP2C19
SCHEMBL3244637 0.91 AURKA (0.49) AURKAAURKBRETSYKCYP2C19
SCHEMBL1298726 0.84 AURKA (0.50) AURKAAURKBRETSYKCYP2C19
SCHEMBL1298009 0.82 AURKA (0.46) AURKAAURKBRETSYKCYP2C19
SCHEMBL1298391 0.82 F2 (0.32) AURKAADORA3
SCHEMBL1298917 0.78 JAK2 (0.57) AURKAAURKBSYKCYP2C19JAK2
SCHEMBL1298754 0.77 DHODH (0.44) AURKAAURKBSYKCYP2C19JAK2
SCHEMBL1298757 0.76 JAK2 (0.43) AURKAAURKBSYKCYP2C19JAK2
SCHEMBL1298513 0.75 JAK2 (0.42) AURKAAURKBSYKCYP2C19JAK2

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 AURKA 601/4885AURKB 507/4885RET 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.