SCHEMBL4987112

SCHEMBL4987112

Cc1c(S(=O)(=O)N2CCc3c(N)ncnc3C2)cnn1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
EGFR P00533 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
PI4KA P42356 1/20 0.41
KMT2A Q03164 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
LMNA P02545 1/20 0.37
ACLY P53396 1/20 0.35
CCKBR P32239 1/20 0.35
XDH P47989 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL4985357 0.80 CTSG (0.41) ALDH1A1KDM4ETSHRCYP2C19KMT2A
SCHEMBL4993468 0.79 ALDH1A1 (0.46) ALDH1A1LMNAHTTNPSR1MAPK1
SCHEMBL4988452 0.78 MEN1 (0.51) ALDH1A1MEN1CYP2C19KMT2AMAPK1
SCHEMBL14272380 0.77 TSHR (0.47) ALDH1A1TSHRLMNACCKBRNR1H4
SCHEMBL4991988 0.76 ALOX5AP (0.43)
SCHEMBL4988082 0.76 KMT2A (0.55) ALDH1A1KMT2ARAB9AGAASMN1; SMN2
SCHEMBL4986052 0.76 CHRM4 (0.43) TSHRCYP2C19KMT2AL3MBTL1
SCHEMBL4988239 0.76 MKNK1 (0.42) ALDH1A1KDM4ERAB9ANPSR1SMN1; SMN2
SCHEMBL4985459 0.75 P2RX7 (0.40) ALDH1A1TSHRMEN1CYP2C19KMT2A
SCHEMBL4988330 0.74 CD4 (0.50) ALDH1A1HTTRAB9AGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 ALDH1A1 3640/4885KDM4E 4128/4885HSD17B10 4009/4885

“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.