SCHEMBL19684580

SCHEMBL19684580

Cc1cnc(C)c2c1CNCC2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.41
CHRM3 P20309 3/20 0.32
HTR7 P34969 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CD44 P16070 1/20 0.31

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
SCHEMBL3413809 0.84 CHRNB2 (0.30)
SCHEMBL19711568 0.81 PNMT (0.38) PNMTCHRM3HTR7ADRA2AADRA2B
SCHEMBL19678858 0.79 PNMT (0.36) PNMT
SCHEMBL27380968 0.74 KDM4E (0.38)
SCHEMBL18819887 0.74 KDM4E (0.34)
SCHEMBL11981382 0.73 HTR2C (0.44) PNMTADRA2AADRA2BADRA2CCD44
SCHEMBL17348365 0.72 PNMT (0.37) PNMTCD44
SCHEMBL12333209 0.71 HTR2A (0.35) PNMTCHRM3
SCHEMBL25678467 0.71 CYP1A2 (0.36) PNMTCD44
SCHEMBL19679229 0.70 CHRM2 (0.49) CHRM3

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-3464249-B1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2021-08-11 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 PNMT 2003/4885CHRM3 4771/4885HTR7 4344/4885

“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.