SCHEMBL23539775

SCHEMBL23539775

COC(=O)c1cc(I)c(-c2ccc(F)cc2)cc1NC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ CYP1A2 P05177 3/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KDM4E B2RXH2 6/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ HPGD P15428 2/20 0.42
▸ PTGS1 P23219 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL29476129 1.00 SLC6A4 (0.52) SLC6A4SLC6A3CYP1A2CYP2D6CYP2C19
SCHEMBL25485749 0.87 SLC6A4 (0.52) SLC6A4SLC6A3CYP1A2CYP2D6CYP2C19
SCHEMBL25327219 0.86 KDM4E (0.49) SLC6A4SLC6A3CYP2C19KDM4ELMNA
SCHEMBL23539577 0.86 ALPL (0.43) SLC6A4SLC6A3CYP1A2CYP2D6CYP2C19
SCHEMBL29654773 0.84 ABL1 (0.44) SLC6A4SLC6A3KDM4ESMN1; SMN2RAB9A
SCHEMBL25486721 0.84 ABL1 (0.44) SLC6A4SLC6A3KDM4ESMN1; SMN2RAB9A
SCHEMBL29476278 0.84 SLC6A4 (0.49) SLC6A4SLC6A3CYP1A2CYP2D6CYP2C19
SCHEMBL23541000 0.84 SLC6A4 (0.49) SLC6A4SLC6A3CYP1A2CYP2D6CYP2C19
SCHEMBL24525459 0.83 JAK2 (0.43) SLC6A4SLC6A3CYP1A2CYP2D6CYP2C19
SCHEMBL23540082 0.80 SLC6A4 (0.56) SLC6A4SLC6A3CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162893-B2 Tricyclic pyridones and pyrimidones ERASCA, INC. (US) 2024-12-10 — — US disclosed
US-11845761-B2 Tricyclic pyridones and pyrimidones ERASCA, INC. (US) 2023-12-19 — — US disclosed
US-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-06-29 — — US disclosed
US-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-06-29 — — US disclosed
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
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-05-25 — — US disclosed
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-05-25 — — US disclosed
US-20230107642-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-04-06 — — US disclosed
WO-2022133345-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-06-23 — — WO 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
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 (6 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 SLC6A4 485/4885SLC6A3 1222/4885CYP1A2 105/4885
US-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES DHFR, TYMS, TYMP SLC6A4 430/4885SLC6A3 1078/4885CYP1A2 77/4885
US-20230107642-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES KRAS, NRAS, HRAS SLC6A4 4490/4885SLC6A3 4378/4885CYP1A2 3776/4885
US-11845761-B2 Tricyclic pyridones and pyrimidones KRAS, NRAS, HRAS SLC6A4 4490/4885SLC6A3 4378/4885CYP1A2 3776/4885
US-12162893-B2 Tricyclic pyridones and pyrimidones DHFR, TYMS, TYMP SLC6A4 430/4885SLC6A3 1078/4885CYP1A2 77/4885
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES KRAS, NRAS, HRAS SLC6A4 4490/4885SLC6A3 4378/4885CYP1A2 3776/4885

“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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