SCHEMBL9766053

SCHEMBL9766053

COC(=O)c1c(F)c(F)c(C)c(F)c1OC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TAS1R3 Q7RTX0 11/20 0.41
TAS1R1 Q7RTX1 10/20 0.41
TAS1R2 Q8TE23 10/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL9766024 0.92 SMN1; SMN2 (0.43) TSHRMAPK1TAS1R3TAS1R1TAS1R2
SCHEMBL523604 0.86 TSHR (0.53) TSHRMAPK1TAS1R3TAS1R1TAS1R2
SCHEMBL9766080 0.84 TSHR (0.44) TSHRMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL9766128 0.82 TSHR (0.46) TSHRMAPK1TAS1R3TAS1R1TAS1R2
SCHEMBL27388705 0.81 MEN1 (0.41) TSHRMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL9766076 0.79 TSHR (0.52) TSHRMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL16300563 0.79 TSHR (0.47) TSHRMAPK1TAS1R3TAS1R1TAS1R2
SCHEMBL9766012 0.79 SMN1; SMN2 (0.46) TSHRMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL19478140 0.78 TSHR (0.43) TSHRMAPK1TAS1R3TAS1R1TAS1R2
SCHEMBL8593844 0.78 TSHR (0.46) TSHRMAPK1SMN1; SMN2MEN1KMT2A

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-3746435-B1 SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2022-08-03 EP disclosed
EP-3746435-B1 SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2022-08-03 EP disclosed
EP-3746435-A1 SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Inc. (US) 2020-12-09 EP disclosed
US-10662204-B2 Substituted quinazoline and pyridopyrimidine derivatives useful as anticancer agents PFIZER INC. (US) 2020-05-26 US disclosed
US-10662204-B2 Substituted quinazoline and pyridopyrimidine derivatives useful as anticancer agents PFIZER INC. (US) 2020-05-26 US disclosed
WO-2019150305-A1 SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2019-08-08 WO disclosed
WO-2019150305-A1 SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2019-08-08 WO disclosed
US-20190233440-A1 Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents PFIZER INC. (US) 2019-08-01 US disclosed
US-20190233440-A1 Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents PFIZER INC. (US) 2019-08-01 US disclosed
EP-0266947-B1 HALOGENATED ESTERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-04 EP disclosed
US-4853414-A 1-/2-ALKOXY-3,5-DIFLUOROBENZYL ESTERS OF 2,2-DIMETHYL-3-ALKYLCYCLOPROPIONIC ACID; INSECTICIDES; PESTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-01 US disclosed
EP-0266947-A2 Halogenated esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-11 EP 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 (2 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-10662204-B2 Substituted quinazoline and pyridopyrimidine derivatives useful as anticancer agents DPYD, PDXK, TYMP TSHR 4393/4885MAPK1 1592/4885TAS1R3 4062/4885
US-20190233440-A1 Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents DPYD, TYMP, TOP2A TSHR 4431/4885MAPK1 1693/4885TAS1R3 4429/4885

“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.