SCHEMBL162439

SCHEMBL162439

CC(C)n1ccc2c(Cl)nc(S(=O)(=O)c3ccc(F)cc3)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
TP53 P04637 5/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
POLB P06746 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
HTR6 P50406 3/20 0.35
KDM4E B2RXH2 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CYP2C19 P33261 2/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
BRCA1 P38398 1/20 0.33

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
SCHEMBL164315 0.84 HTR6 (0.37) MAPTTP53HTR6KDM4ERXFP1
SCHEMBL164444 0.81 LRRK2 (0.38) MAPTTP53HTR6KDM4ECYP2C19
SCHEMBL163907 0.77 HDAC1 (0.35) MAPTTP53HTR6KDM4ECYP2C19
SCHEMBL165396 0.76 HDAC1 (0.36) MAPTHTR6KDM4ECYP2C19ALDH1A1
SCHEMBL174476 0.75 SYK (0.46) CYP2C19CYP3A4CYP1A2CYP2C9
SCHEMBL165127 0.74 GRIN2B (0.41) HTR6
SCHEMBL165583 0.72 MEN1 (0.36) MAPTSMN1; SMN2CYP2C19LMNACYP1A2
SCHEMBL174845 0.72 HSP90AA1 (0.37) MAPTTP53KDM4ECYP2C19CYP3A4
SCHEMBL166059 0.71 MAPK1 (0.44) MAPTPOLBKDM4ELMNAALDH1A1
SCHEMBL30095873 0.71 CDK1 (0.38) POLBADORA2AADORA1

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-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
EP-2611809-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 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-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, JAK1 MAPT 2450/4885TP53 614/4885SMN1; SMN2 3140/4885

“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.