SCHEMBL166125

SCHEMBL166125

Cn1cc2c(Cl)nc(C(F)(F)c3ccc(F)cc3)nc2n1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.54
ADORA3 P0DMS8 16/20 0.54
ADORA1 P30542 11/20 0.48
ADORA2B P29275 1/20 0.34

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
SCHEMBL164859 0.84 ADORA3 (0.43) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL165459 0.78 ADORA2A (0.48) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL174887 0.75 ADORA3 (0.36) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL174494 0.73 PLK4 (0.46) ADORA3
SCHEMBL164157 0.71 CCNE2 (0.41) ADORA2A
SCHEMBL163666 0.71 MEN1 (0.36)
SCHEMBL164709 0.70 ADORA2A (0.65) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL163386 0.69 GRM2 (0.39)
SCHEMBL163642 0.69 GRM2 (0.36)
SCHEMBL166410 0.69 HTR2C (0.38)

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

“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.