SCHEMBL21075686

SCHEMBL21075686

C[SiH](C)CCOCn1cnc2c(I)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.40
NT5E P21589 1/20 0.39
HPRT1 P00492 3/20 0.38
NSD3 Q9BZ95 2/20 0.36
NSD2 O96028 1/20 0.36
ADORA2A P29274 3/20 0.36
ADORA1 P30542 2/20 0.36
PI4KA P42356 2/20 0.36
PI4K2B Q8TCG2 2/20 0.36
PI4K2A Q9BTU6 2/20 0.36
PI4KB Q9UBF8 2/20 0.36
PNP P00491 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
ADORA2B P29275 1/20 0.35
AHCY P23526 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL126904 0.82 ENPP1 (0.40) ENPP1NT5EHPRT1NSD3NSD2
SCHEMBL18411657 0.81 ENPP1 (0.42) ENPP1NT5EHPRT1NSD3NSD2
SCHEMBL21085179 0.80 PNP (0.35) ENPP1NT5EHPRT1NSD3NSD2
SCHEMBL19012259 0.73 HPRT1 (0.33) ENPP1NT5EHPRT1PNPUSP2
SCHEMBL12825351 0.73 ADORA2A (0.64) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL15672742 0.70 DYRK3 (0.48)
SCHEMBL18967629 0.70 ADK (0.39)
SCHEMBL8446150 0.69 PNP (0.51) ENPP1NT5EHPRT1ADORA2AADORA1
SCHEMBL20404701 0.69 ENPP1 (0.43) ENPP1NT5EHPRT1ADORA2AADORA1
SCHEMBL18967249 0.69 CYP1A2 (0.35) CYP1A2CYP2D6MAPK1

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-20190169197-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. 2019-06-06 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-20190169197-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CCR2, CXCR2, CX3CR1 ENPP1 3180/4885NT5E 3802/4885HPRT1 1845/4885

“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.