SCHEMBL19667705

SCHEMBL19667705

Cc1cc2c(c(Br)n1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.51
NR1H2 P55055 1/20 0.50
MAPT P10636 2/20 0.43
GPR119 Q8TDV5 1/20 0.42
IGF1R P08069 1/20 0.41
GRM5 P41594 1/20 0.40
MKNK1 Q9BUB5 3/20 0.40
ADORA1 P30542 2/20 0.40
MAPK1 P28482 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
F12 P00748 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
MAP3K5 Q99683 1/20 0.38
C5AR1 P21730 1/20 0.38

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
SCHEMBL19667135 0.85 ESR2 (0.54) ESR2NR1H2MAPTGPR119IGF1R
SCHEMBL30893061 0.81 ESR2 (0.54) ESR2NR1H2MAPTMKNK1ADORA1
SCHEMBL24954372 0.81 ESR2 (0.54) ESR2NR1H2MAPTMKNK1ADORA1
SCHEMBL17462460 0.80 ESR2 (0.53) ESR2NR1H2MAPTGPR119MKNK1
SCHEMBL17462459 0.78 ESR2 (0.56) ESR2NR1H2MAPTGPR119MKNK1
SCHEMBL14872981 0.78 ESR2 (0.50) ESR2NR1H2MAPTGPR119GRM5
SCHEMBL30156741 0.78 ESR2 (0.63) ESR2NR1H2MAPTMKNK1ADORA1
SCHEMBL31073520 0.78 MAPT (0.44) ESR2NR1H2MAPTGPR119GRM5
SCHEMBL31073463 0.78 MAPT (0.44) ESR2NR1H2MAPTGPR119GRM5
SCHEMBL19667392 0.78 ESR2 (0.56) ESR2NR1H2MAPTMKNK1ADORA1

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 8 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-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-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 ESR2 2951/4885NR1H2 3021/4885MAPT 3784/4885
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP ESR2 2951/4885NR1H2 3021/4885MAPT 3784/4885
US-20190111060-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP ESR2 2951/4885NR1H2 3021/4885MAPT 3784/4885
US-10220037-B2 Substituted carbonucleoside derivatives useful as anticancer agents DUT, NCL, TYMP ESR2 2951/4885NR1H2 3021/4885MAPT 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.