SCHEMBL175230

SCHEMBL175230

Clc1nc(Cl)c2cnn(CCN3CCOCC3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.47
ADORA1 P30542 1/20 0.45
TSHR P16473 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
SIGMAR1 Q99720 5/20 0.40
SRC P12931 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3992479 0.80 SIGMAR1 (0.56) HRH3SIGMAR1SRC
SCHEMBL17926576 0.77 HSP90AA1 (0.39) ADORA2ACNR2CYP1A2CYP3A4CYP2D6
SCHEMBL7919917 0.76 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6
SCHEMBL2786539 0.76 PDE1A (0.42) CYP1A2CYP3A4CYP2D6
SCHEMBL174354 0.74 PLK4 (0.50)
SCHEMBL30095837 0.74 PDE2A (0.39)
SCHEMBL2804826 0.74 PDE2A (0.39)
SCHEMBL2809384 0.73 SIGMAR1 (0.54) SIGMAR1
SCHEMBL30748233 0.72
SCHEMBL2189832 0.72 ADORA3 (0.43) ADORA2AADORA1TSHRCYP1A2CYP3A4

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 1933/4885ADORA1 3035/4885TSHR 2618/4885

“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.