SCHEMBL17877913

SCHEMBL17877913

Clc1ncnc2c1ncn2C1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.53
PI4KA P42356 4/20 0.50
PI4K2B Q8TCG2 4/20 0.50
PI4K2A Q9BTU6 4/20 0.50
PI4KB Q9UBF8 4/20 0.50
ADORA3 P0DMS8 4/20 0.50
ADORA1 P30542 4/20 0.50
ADORA2B P29275 2/20 0.50
YTHDC1 Q96MU7 1/20 0.49
NFKB1 P19838 2/20 0.42
BLM P54132 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
THPO P40225 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL14983397 0.91 ADORA2A (0.47) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL24196376 0.89 ADORA2A (0.65) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL11400740 0.84 ADORA2A (0.68) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL11961123 0.81 LMNA (0.48) ADORA2AADORA3ADORA1ADORA2BYTHDC1
SCHEMBL9786770 0.80 ADORA2A (0.49) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL130820 0.78 PI4KA (0.43) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL9469908 0.77 ADORA2A (0.46) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL1998927 0.77 PI4KA (0.71) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL14983400 0.77 ADORA2A (0.47) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL9685991 0.77 ADORA2A (0.50) ADORA2API4KAPI4K2BPI4K2API4KB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822131-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-11-21 US disclosed
US-9822131-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-11-21 US disclosed
US-20160185800-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2016-06-30 US disclosed
US-20160185800-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2016-06-30 US 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-20160185800-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A ADORA2A 1100/4885PI4KA 11/4885PI4K2B 45/4885

“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.