SCHEMBL21761803

SCHEMBL21761803

Cc1cc(F)c(F)cc1I

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.30

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
SCHEMBL10304843 0.86 TTR (0.33) ACHE
SCHEMBL16527152 0.86 TTR (0.33) ACHE
SCHEMBL12583448 0.80 TTR (0.33) ACHE
SCHEMBL22597911 0.79 ALDH1A1 (0.39) RAPGEF4
SCHEMBL22719596 0.79 KDM1A (0.41)
SCHEMBL23706706 0.79 CA3 (0.36)
SCHEMBL848915 0.79 CYP3A4 (0.40)
SCHEMBL32665527 0.79 KDM4E (0.37)
SCHEMBL16656287 0.78 RXRA (0.30)
SCHEMBL4138790 0.77 GPR84 (0.33)

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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
WO-2021181416-A1 PROCESS FOR THE PREPARATION OF 1-BROMO-2,4,5-TRIFLUOROBENZENE AARTI INDUSTRIES LIMITED (IN) 2021-09-16 WO disclosed
EP-3194385-B3 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM CHRONOS THERAPEUTICS LTD (GB) 2021-02-17 EP disclosed
WO-2020038458-A1 CLASS OF FUSED RING TRIAZOLE COMPOUND, PREPARATION METHOD, AND USE 如东凌达生物医药科技有限公司 2020-02-27 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 (1 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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS ACHE 4807/4885RAPGEF4 121/4885

“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.