SCHEMBL23539849

SCHEMBL23539849

COC(=O)c1cc(C(F)(F)F)c(-c2cc(Cl)c(F)cc2F)cc1NC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ ACLY P53396 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ CFTR P13569 4/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ALPL P05186 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PDK1 Q15118 3/20 0.34
▸ PDK2 Q15119 3/20 0.34
▸ PDK3 Q15120 3/20 0.34
▸ PDK4 Q16654 3/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ GPR35 Q9HC97 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ DHODH Q02127 1/20 0.34

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
SCHEMBL29476206 1.00 ALDH1A1 (0.40) ALDH1A1ACLYMAPTCFTRNPC1
SCHEMBL25485799 0.85 ALDH1A1 (0.42) ALDH1A1ACLYMAPTNPC1RAB9A
SCHEMBL29654471 0.84 ABL1 (0.44) ALDH1A1MAPTCFTRNPC1RAB9A
SCHEMBL24524870 0.84 ABL1 (0.44) ALDH1A1MAPTCFTRNPC1RAB9A
SCHEMBL29476351 0.84 ALDH1A1 (0.41) ALDH1A1ACLYMAPTCFTRNPC1
SCHEMBL23540576 0.84 ALDH1A1 (0.41) ALDH1A1ACLYMAPTCFTRNPC1
SCHEMBL29476287 0.83 ALPL (0.41) ALDH1A1MAPTCFTRNPC1RAB9A
SCHEMBL23539711 0.83 ALPL (0.41) ALDH1A1MAPTCFTRNPC1RAB9A
SCHEMBL23540410 0.82 CFTR (0.52) ALDH1A1MAPTCFTRALPLKDM4E
SCHEMBL29476232 0.82 CFTR (0.52) ALDH1A1MAPTCFTRALPLKDM4E

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
US-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-06-29 — — US disclosed
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-05-25 — — US disclosed
WO-2022133345-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-06-23 — — WO disclosed
US-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2022-04-21 — — US disclosed
WO-2021127404-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2021-06-24 — — WO disclosed
WO-2021127404-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2021-06-24 — — WO 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 (3 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-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES TYMS, TYMP, DHFR ALDH1A1 547/4885ACLY 4156/4885MAPT 1569/4885
US-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES DHFR, TYMS, TYMP ALDH1A1 564/4885ACLY 4123/4885MAPT 1294/4885
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES KRAS, NRAS, HRAS ALDH1A1 2548/4885ACLY 4774/4885MAPT 4642/4885

“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.

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