SCHEMBL19684558

SCHEMBL19684558

Cc1cccc2c1CNCCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.41
HTR2C P28335 2/20 0.36
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADRB1 P08588 1/20 0.35
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
KEAP1 Q14145 1/20 0.34
HTR2A P28223 2/20 0.34
SSTR4 P31391 3/20 0.33
PNMT P11086 1/20 0.33
LMNA P02545 2/20 0.32
CRHBP P24387 2/20 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
SCHEMBL20565628 0.80 ITGB2 (0.37) HTR2CITGB2ICAM1ITGALADRB1
SCHEMBL23735384 0.79 CD44 (0.47) HTR2CITGB2ICAM1ITGALCD274
SCHEMBL19667519 0.79 PNMT (0.41) HTR2CITGB2ICAM1ITGALGAA
SCHEMBL19711047 0.79 ITGB2 (0.35) HTR2CITGB2ICAM1ITGALCD274
SCHEMBL19678834 0.78 SSTR4 (0.36) HTR2CITGB2ICAM1ITGALCD274
SCHEMBL21800420 0.76 PNMT (0.44) HTR2CITGB2ICAM1ITGALADRB1
SCHEMBL20778163 0.76 ALDH1A1 (0.37) MAP3K14CD274ALDH1A1GAAMAPT
SCHEMBL30485719 0.75 MAP3K14 (0.47) MAP3K14ITGB2ICAM1ITGALLMNA
SCHEMBL8081108 0.75 MAP3K14 (0.47) MAP3K14ITGB2ICAM1ITGALLMNA
Hydrochloric Acid SCHEMBL3276367 0.73 PRCP (0.54) ITGB2ICAM1ITGALCD274ALDH1A1

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
EP-3560494-A1 DRUG TARGETING CANCER STEM CELL Sumitomo Dainippon Pharma Co., Ltd. (JP) 2019-10-30 EP disclosed
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP MAP3K14 2116/4885HTR2C 4759/4885ITGB2 2404/4885

“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.