SCHEMBL164012

SCHEMBL164012

Oc1nc(C(F)(F)c2ccc(F)cc2)nc2nn(Cc3ccccc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 14/20 0.43
ADORA1 P30542 11/20 0.43
ADORA2A P29274 11/20 0.43
ADORA2B P29275 4/20 0.43
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35

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
SCHEMBL165459 0.88 ADORA2A (0.48) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL164859 0.77 ADORA3 (0.43) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL174069 0.76 AURKA (0.49) ADORA3
SCHEMBL174842 0.76 GAA (0.43) ADORA1ADORA2AALDH1A1
SCHEMBL164199 0.73 CCNE2 (0.41) ADORA2AALDH1A1RAB9A
SCHEMBL182945 0.66 GRM2 (0.39) ADORA1ADORA2AALDH1A1
SCHEMBL166125 0.65 ADORA2A (0.54) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL173482 0.65 ALDH1A1 (0.46) ADORA1ADORA2AALDH1A1RAB9A
SCHEMBL174746 0.63 HTR2C (0.44)
SCHEMBL164157 0.62 CCNE2 (0.41) ADORA2AALDH1A1RAB9A

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 ADORA3 1302/4885ADORA1 3035/4885ADORA2A 1933/4885

“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.