SCHEMBL31348094

SCHEMBL31348094

COc1ncc(NC(N)=O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PIK3CA P42336 16/20 0.41
▸ PIK3R1 P27986 7/20 0.40
▸ MTOR P42345 2/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL16164495 0.86 PIK3CA (0.44) ALDH1A1PIK3CAPIK3R1MTORMEN1
SCHEMBL19783077 0.84 NPSR1 (0.44) PIK3CAPIK3R1MTORBACE1
SCHEMBL29454955 0.81 SMN1; SMN2 (0.51) SMN1; SMN2PIK3CA
SCHEMBL31348095 0.81 SMN1; SMN2 (0.48) SMN1; SMN2PIK3CAPIK3R1
SCHEMBL14923559 0.80 SYK (0.46) PIK3CAPIK3R1MTOR
SCHEMBL25200798 0.79 TSHR (0.45) SMN1; SMN2
SCHEMBL18839498 0.78 GAA (0.45) ALDH1A1SMN1; SMN2
SCHEMBL16562090 0.77 PIK3CA (0.39) PIK3CAPIK3R1MTOR
Hydrochloric Acid SCHEMBL16554436 0.77 PIK3CA (0.44) PIK3CAPIK3R1MTOR
SCHEMBL30151852 0.76 NNMT (0.49) PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034141-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-01-30 — — 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 (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-20250034141-A1 HETEROCYCLIC COMPOUND MALT1, SQSTM1, PPM1D ALDH1A1 1199/4885SMN1; SMN2 2190/4885PIK3CA 2309/4885

“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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