SCHEMBL19684960

SCHEMBL19684960

COc1cccc(C(F)(F)F)c1CN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
MAPT P10636 1/20 0.41
AR P10275 2/20 0.40
PTPN1 P18031 1/20 0.40
ATM Q13315 1/20 0.39
MAOB P27338 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IDO1 P14902 1/20 0.37
CD274 Q9NZQ7 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
GNRHR P30968 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
SCHEMBL21264177 0.84 ATM (0.43) HTR2AHTR2CMAPTARPTPN1
SCHEMBL16049486 0.82 MAPT (0.41) HTR2AHTR2CMAPTARPTPN1
SCHEMBL30002487 0.82 MAPT (0.44) MAPTARPTPN1ATMMAOB
SCHEMBL25371546 0.82 MAPT (0.41) HTR2AHTR2CMAPTARPTPN1
SCHEMBL16049419 0.82 MAPT (0.44) MAPTARPTPN1ATMMAOB
Bromide SCHEMBL25371177 0.81 MAPT (0.40) HTR2AHTR2CMAPTARPTPN1
SCHEMBL7865957 0.81 ATM (0.41) HTR2AHTR2CMAPTARPTPN1
SCHEMBL113737 0.80 CA1 (0.50) MAPTTAAR1LMNASMN1; SMN2IDO1
SCHEMBL7521671 0.80 MAOB (0.43) HTR2CMAOBTAAR1SMN1; SMN2IDO1
Hydrochloric Acid SCHEMBL10351310 0.78 CA12 (0.48) HTR2AHTR2CMAPTTAAR1LMNA

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 6 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-10709709-B2 Substituted carbonucleoside derivatives useful as anticancer agents PFIZER INC. (US) 2020-07-14 US disclosed
US-20190111060-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2019-04-18 US disclosed
US-10220037-B2 Substituted carbonucleoside derivatives useful as anticancer agents PFIZER INC. (US) 2019-03-05 US disclosed
US-10220037-B2 Substituted carbonucleoside derivatives useful as anticancer agents PFIZER INC. (US) 2019-03-05 US 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 (4 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-10709709-B2 Substituted carbonucleoside derivatives useful as anticancer agents DUT, NCL, TYMP HTR2A 4697/4885HTR2C 4759/4885MAPT 3784/4885
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP HTR2A 4697/4885HTR2C 4759/4885MAPT 3784/4885
US-20190111060-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP HTR2A 4697/4885HTR2C 4759/4885MAPT 3784/4885
US-10220037-B2 Substituted carbonucleoside derivatives useful as anticancer agents DUT, NCL, TYMP HTR2A 4697/4885HTR2C 4759/4885MAPT 3784/4885

“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.