SCHEMBL24355322

SCHEMBL24355322

CC(C)c1cccc(C(F)(F)CO)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 6/20 0.44
▸ KRAS P01116 5/20 0.44
▸ GABRA1 P14867 3/20 0.44
▸ GABRG2 P18507 2/20 0.44
▸ GABRB3 P28472 2/20 0.44
▸ GABRB2 P47870 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ FAAH O00519 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39

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
SCHEMBL23412612 0.87 SOS1 (0.43) SOS1KRASGABRA1GABRG2GABRB3
SCHEMBL29723304 0.87 SOS1 (0.43) SOS1KRASGABRA1GABRG2GABRB3
SCHEMBL21132649 0.87 SOS1 (0.43) SOS1KRASGABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL23577813 0.85 SOS1 (0.42) SOS1KRASGABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL25300330 0.85 SOS1 (0.42) SOS1KRASGABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL29755614 0.85 SOS1 (0.42) SOS1KRASGABRA1GABRG2GABRB3
SCHEMBL30991137 0.84 SOS1 (0.41) SOS1KRASGABRA1GABRG2GABRB3
SCHEMBL23441720 0.81 GABRA1 (0.40) SOS1KRASGABRA1GABRG2GABRB3
SCHEMBL30991093 0.81 SOS1 (0.39) SOS1KRASP2RX7IDO1TDO2
SCHEMBL23441728 0.80 GABRA1 (0.42) SOS1KRASGABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 — — US disclosed
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-03-02 — — US disclosed
WO-2023011540-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF 苏州信诺维医药科技股份有限公司 2023-02-09 — — WO disclosed
WO-2022083657-A1 SUBSTITUTED BENZO OR PYRIDOPYRIMIDINE AMINE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 苏州泽璟生物制药股份有限公司 2022-04-28 — — 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 (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-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF SOS1 34/4885KRAS 1/4885GABRA1 3208/4885
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KRAS, HRAS, TP53 SOS1 167/4885KRAS 1/4885GABRA1 3509/4885

“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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