SCHEMBL19684652

SCHEMBL19684652

CCCCOc1cc(C(C)(F)F)cc2c1C(=O)NCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.36
PARP10 Q53GL7 2/20 0.36
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
TRPM2 O94759 1/20 0.33
EGFR P00533 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
PTPN1 P18031 1/20 0.32
PDE4A P27815 3/20 0.32
PDE4D Q08499 3/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PARP11 Q9NR21 1/20 0.32
CDC7 O00311 1/20 0.31
EHMT2 Q96KQ7 1/20 0.31
MAPK1 P28482 2/20 0.31
RIPK3 Q9Y572 2/20 0.31
BUB1 O43683 2/20 0.31
TNF P01375 1/20 0.31
LMNA P02545 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
SCHEMBL19679223 0.81 EGFR (0.41) PARP1PARP10EGFRMRGPRX4PTPN1
SCHEMBL19684924 0.80 PARP10 (0.41) PARP1PARP10HSP90AA1HSP90AB1TRPM2
SCHEMBL19684653 0.76 HRH3 (0.38) KMT2A
SCHEMBL21593493 0.68 PARP10 (0.44) PARP1PARP10EGFRPDE4APARP11
SCHEMBL19684858 0.68 LRRK2 (0.36) PARP1PARP10TRPM2EGFRPTPN1
SCHEMBL13178634 0.68 PDE3B (0.44) PARP1PARP10PDE4APDE4DPDE4B
SCHEMBL18130722 0.66 PARP10 (0.41) PARP1PARP10HSP90AA1HSP90AB1PARP11
SCHEMBL19574541 0.65 PARP11 (0.55) PARP1PARP10PTPN1PARP11MAPT
SCHEMBL7586205 0.64 PARP1 (0.65) PARP1PARP10TRPM2MRGPRX4PARP11
SCHEMBL19684895 0.63 FABP6 (0.35) PDE4APDE4DPDE4BPDE4CMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PARP1 37/4885PARP10 330/4885HSP90AA1 1888/4885

“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.