SCHEMBL173618

SCHEMBL173618

Oc1nc(C(F)(F)c2ccc(F)cc2)nc2c1cnn2CCCl

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.31
ABL1 P00519 1/20 0.31
SRC P12931 1/20 0.31
PDE2A O00408 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
CNR2 P34972 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
SCHEMBL174842 0.85 GAA (0.43) ABL1SRCADORA2AADORA1CNR2
SCHEMBL174746 0.83 HTR2C (0.44) PDE2A
SCHEMBL173586 0.75 PLK4 (0.54)
SCHEMBL173482 0.72 ALDH1A1 (0.46) ABL1SRCADORA2AADORA1CNR2
SCHEMBL31283773 0.68 LRRK2 (0.37) PDE2ACNR2
SCHEMBL164859 0.68 ADORA3 (0.43) ADORA2AADORA1
SCHEMBL174355 0.68 HTR2C (0.42) PDE2A
SCHEMBL164199 0.67 CCNE2 (0.41) ADORA2A
SCHEMBL174952 0.65 PIK3CA (0.42)
SCHEMBL164012 0.64 ADORA3 (0.43) ADORA2AADORA1

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 SIGMAR1 4530/4885ABL1 5/4885SRC 98/4885

“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.