SCHEMBL22962145

SCHEMBL22962145

N#Cc1ccc2[nH]c(SS)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42
PIN1 Q13526 1/20 0.41
MAPK10 P53779 4/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
RHEB Q15382 1/20 0.40
CYP19A1 P11511 2/20 0.40
CHUK O15111 1/20 0.39
CSNK1A1 P48729 2/20 0.38
CSNK1D P48730 2/20 0.38
GSK3B P49841 2/20 0.38
CSNK1G2 P78368 2/20 0.38
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
THRB P10828 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36

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
SCHEMBL3987184 0.79 IMPDH2 (0.44) IMPDH2IMPDH1PIN1MAPK10PKN1
SCHEMBL4387879 0.77 IMPDH2 (0.46) IMPDH2IMPDH1PIN1MAPK10PKN1
SCHEMBL1245512 0.76 RHEB (0.49) IMPDH2IMPDH1PIN1MAPK10PKN1
SCHEMBL1794997 0.76 CSNK1D (0.47) IMPDH2IMPDH1PIN1MAPK10PKN1
SCHEMBL11249156 0.76 MASP2 (0.48) IMPDH2IMPDH1PIN1MAPK10PKN1
SCHEMBL27306100 0.76 IMPDH2 (0.44) IMPDH2IMPDH1PIN1MAPK10PKN1
SCHEMBL2712161 0.76 PIN1 (0.46) IMPDH2IMPDH1PIN1MAPK10PKN1
SCHEMBL13677328 0.75 CSNK1D (0.46) IMPDH2IMPDH1PIN1MAPK10CSNK1A1
SCHEMBL9063730 0.75 GRIN1 (0.51) IMPDH2IMPDH1PIN1MAPK10PKN1
SCHEMBL23676436 0.73 TXN (0.38)

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-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-11 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-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 IMPDH2 3909/4885IMPDH1 3785/4885PIN1 2589/4885

“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.