SCHEMBL27409261

SCHEMBL27409261

CNC(=O)c1c[nH]c2c(Cl)nc(C)nc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.43
AR P10275 2/20 0.38
PLK1 P53350 1/20 0.34
SYK P43405 3/20 0.34
NR1I2 O75469 1/20 0.33
AHR P35869 1/20 0.33
ULK1 O75385 1/20 0.33
CASP1 P29466 1/20 0.33
NR4A2 P43354 2/20 0.33
GAA P10253 1/20 0.33
CREBBP Q92793 1/20 0.33
PTK2 Q05397 2/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
BRPF1 P55201 1/20 0.32

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
SCHEMBL19657570 0.75 AR (0.41) PDK2ARSYKNR4A2GAA
SCHEMBL27409258 0.73 XDH (0.40) AR
SCHEMBL20039914 0.72 KDR (0.32) PDK2AR
SCHEMBL19657299 0.72 SYK (0.43) SYKNR1I2AHRCREBBP
SCHEMBL30955195 0.71 KDR (0.35) PDK2ARSYKPTK2ADORA2A
SCHEMBL21024072 0.70 CREBBP (0.40) ARSYKNR4A2GAACREBBP
SCHEMBL27409253 0.69 TRPV1 (0.34) ADORA2AADORA1
SCHEMBL19657319 0.67 SYK (0.53) SYK
SCHEMBL19657577 0.67 NR1I2 (0.42) SYKNR1I2AHRNR4A2CREBBP
SCHEMBL30993163 0.66 CREBBP (0.39) PDK2ARPLK1SYKNR1I2

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-20240209005-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2024-06-27 US disclosed
US-20240209005-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2024-06-27 US disclosed
US-20240209005-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2024-06-27 US disclosed
WO-2022197734-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2022-09-22 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-20240209005-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, ENTPD5 PDK2 604/4885AR 3823/4885PLK1 792/4885

“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.