SCHEMBL25485799

SCHEMBL25485799

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ ACLY P53396 1/20 0.39
▸ HPGD P15428 4/20 0.39
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ALPL P05186 1/20 0.37
▸ NQO2 P16083 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ GALR2 O43603 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HSP90AA1 P07900 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
SCHEMBL29476351 0.87 ALDH1A1 (0.41) ALDH1A1ACLYHPGDNPC1RAB9A
SCHEMBL23540576 0.87 ALDH1A1 (0.41) ALDH1A1ACLYHPGDNPC1RAB9A
SCHEMBL23539849 0.85 ALDH1A1 (0.40) ALDH1A1ACLYHPGDNPC1RAB9A
SCHEMBL29476206 0.85 ALDH1A1 (0.40) ALDH1A1ACLYHPGDNPC1RAB9A
SCHEMBL25486723 0.83 ABL1 (0.44) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL25484858 0.81 ALPL (0.43) ALDH1A1NPC1RAB9AKDM4EALPL
SCHEMBL23557174 0.81 ABL1 (0.44) ALDH1A1ACLYHPGDKDM4EALPL
SCHEMBL4858316 0.79 ALDH1A1 (0.53) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL25485749 0.76 SLC6A4 (0.52) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL25486984 0.75 DHODH (0.37) ALDH1A1HPGDNPC1RAB9AKDM4E

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 2 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

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-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES TYMS, TYMP, DHFR ALDH1A1 547/4885ACLY 4156/4885HPGD 728/4885
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES KRAS, NRAS, HRAS ALDH1A1 2548/4885ACLY 4774/4885HPGD 1211/4885

“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.

Send feedback