SCHEMBL165335

SCHEMBL165335

CSc1nc2nc(C(F)(F)c3ccc(F)cc3)nc(Cl)c2s1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
HCRTR1 O43613 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL21206622 0.80 KDR (0.53) KDRSMN1; SMN2NPSR1
SCHEMBL175167 0.74 PLK4 (0.42)
SCHEMBL163802 0.70 MAPT (0.40) SMN1; SMN2NPSR1NPC1ALDH1A1MAPT
SCHEMBL164810 0.70 PRKCI (0.33)
SCHEMBL21769056 0.68 KDR (0.61) KDRSMN1; SMN2NPSR1KDM4EMEN1
SCHEMBL21206491 0.67 KDR (0.59) KDRSMN1; SMN2NPSR1KDM4EMEN1
SCHEMBL166125 0.67 ADORA2A (0.54)
SCHEMBL165352 0.67 ALDH1A1 (0.42) MEN1ALDH1A1KMT2A
SCHEMBL21206691 0.65 KDR (0.53) KDRSMN1; SMN2NPSR1RAB9A
SCHEMBL21206875 0.64 AADAT (0.40) KDRSMN1; SMN2NPSR1KDM4EMEN1

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 KDR 933/4885SMN1; SMN2 3140/4885NPSR1 4513/4885

“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.