SCHEMBL29344046

SCHEMBL29344046

C1=CC2CN(Cc3ccccc3)CC1N2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FUCA1 P04066 2/20 0.55
▸ SIGMAR1 Q99720 2/20 0.52
▸ S1PR1 P21453 1/20 0.47
▸ S1PR5 Q9H228 1/20 0.47
▸ GBA1 P04062 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ACHE P22303 1/20 0.46

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
SCHEMBL27158527 1.00 FUCA1 (0.55) FUCA1SIGMAR1S1PR1S1PR5GBA1
Trifluoroacetic Acid SCHEMBL29977328 0.86 S1PR5 (0.48) FUCA1SIGMAR1S1PR1S1PR5GBA1
SCHEMBL9052958 0.80 FUCA1 (0.58) FUCA1SIGMAR1S1PR1S1PR5GBA1
SCHEMBL14410730 0.78 FUCA1 (0.56) FUCA1SIGMAR1S1PR1S1PR5GBA1
SCHEMBL402305 0.78 FUCA1 (0.56) FUCA1SIGMAR1S1PR1S1PR5GBA1
SCHEMBL3931239 0.78 FUCA1 (0.56) FUCA1SIGMAR1S1PR1S1PR5GBA1
SCHEMBL16759827 0.77 FUCA1 (0.64) FUCA1SIGMAR1S1PR1S1PR5GBA1
SCHEMBL16775256 0.77 FUCA1 (0.64) FUCA1SIGMAR1S1PR1S1PR5GBA1
SCHEMBL5242542 0.77 FUCA1 (0.64) FUCA1SIGMAR1S1PR1S1PR5ACHE
SCHEMBL3522692 0.77 FUCA1 (0.55) FUCA1SIGMAR1S1PR1S1PR5GBA1

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 5 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
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 — — US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 — — US disclosed
EP-4322954-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2024-02-21 — — EP disclosed
WO-2022221739-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME CORP. (US) 2022-10-20 — — 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 FUCA1 4054/4885SIGMAR1 4769/4885S1PR1 2894/4885

“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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