SCHEMBL19667614

SCHEMBL19667614

COc1cc(F)cc2c1C(=O)NCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
PARP10 Q53GL7 5/20 0.44
PARP1 P09874 3/20 0.44
GRM5 P41594 4/20 0.40
MAPK9 P45984 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
PARP11 Q9NR21 2/20 0.38
CD274 Q9NZQ7 1/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
CSNK1A1 P48729 2/20 0.35
CSNK1D P48730 2/20 0.35
CSNK1G2 P78368 2/20 0.35
GSK3B P49841 1/20 0.35
RIPK3 Q9Y572 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
SCHEMBL28975535 0.83 ACHE (0.49) NCOA1NCOA3PARP10PARP1GRM5
SCHEMBL24169402 0.81 NCOA1 (0.40) NCOA1NCOA3PARP10PARP1GRM5
SCHEMBL21593327 0.81 PARP10 (0.47) NCOA1NCOA3PARP10PARP1GRM5
SCHEMBL16246496 0.79 ATM (0.50) NCOA1NCOA3KDM4EALDH1A1
SCHEMBL609771 0.78 PARP10 (0.50) NCOA1NCOA3PARP10PARP1GRM5
SCHEMBL22491102 0.78 NCOA1 (0.38) NCOA1NCOA3PARP10PARP1GRM5
SCHEMBL23193539 0.78 NCOA1 (0.38) NCOA1NCOA3PARP10PARP1GRM5
SCHEMBL19667257 0.77 TUBB4A (0.46) KDM4EALDH1A1MAPTHPGDBRD4
SCHEMBL22713749 0.76 PARP10 (0.47) PARP10PARP1GRM5PARP11KDM4E
SCHEMBL16964597 0.76 PARP10 (0.47) PARP10PARP1GRM5PARP11KDM4E

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 12 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
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-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-20190111060-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2019-04-18 US disclosed
EP-3464249-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Inc (US) 2019-04-10 EP 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
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 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 NCOA1 1156/4885NCOA3 785/4885PARP10 330/4885
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP NCOA1 1156/4885NCOA3 785/4885PARP10 330/4885
US-20190111060-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP NCOA1 1156/4885NCOA3 785/4885PARP10 330/4885
US-10220037-B2 Substituted carbonucleoside derivatives useful as anticancer agents DUT, NCL, TYMP NCOA1 1156/4885NCOA3 785/4885PARP10 330/4885

“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.