SCHEMBL24347828

SCHEMBL24347828

CCc1cc(Cl)c2[nH]nc(C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.40
ADORA2B P29275 3/20 0.40
CHEK1 O14757 1/20 0.33
FLT3 P36888 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
P2RX7 Q99572 1/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL13675149 0.84 ADORA2A (0.43) ADORA2AADORA2B
SCHEMBL204117 0.78 ADORA2A (0.44) ADORA2AADORA2BCHEK1FLT3PLK3
SCHEMBL13122054 0.78 ADORA2A (0.44) ADORA2AADORA2BCHEK1FLT3PLK3
SCHEMBL13122058 0.75 ADORA2A (0.46) ADORA2AADORA2BCHEK1FLT3PLK3
SCHEMBL1144559 0.75 ADORA2A (0.42) ADORA2AADORA2BCHEK1FLT3PLK3
SCHEMBL20667379 0.72 ADORA2A (0.40) ADORA2AADORA2BCHEK1FLT3PLK3
SCHEMBL1145133 0.70 TTR (0.43) ADORA2AADORA2B
SCHEMBL13122070 0.69 KCNH2 (0.33) CHEK1FLT3PLK3
SCHEMBL13122195 0.68 ADORA2A (0.46) ADORA2AADORA2BP2RX7
SCHEMBL91441 0.68 NTRK1 (0.43) ADORA2AADORA2BHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2022-04-21 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-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA2B 4/4885CHEK1 542/4885

“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.