SCHEMBL29106959

SCHEMBL29106959

c1ccc(C(NC2CCCCC2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 1/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ EPHX2 P34913 2/20 0.41
▸ EPHX1 P07099 2/20 0.41
▸ GAA P10253 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ HSP90AA1 P07900 2/20 0.38

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
SCHEMBL21445052 0.98 KCNN4 (0.43) KCNN4SMN1; SMN2RAB9AEPHX2EPHX1
SCHEMBL28877119 0.83 RAB9A (0.41) SMN1; SMN2RAB9AEPHX2EPHX1GAA
SCHEMBL7814295 0.81 KDM1A (0.46) MEN1KMT2ALMNA
SCHEMBL7814290 0.81 KDM1A (0.46) MEN1KMT2ALMNA
SCHEMBL3461065 0.81 KDM1A (0.46) MEN1KMT2ALMNA
SCHEMBL8713077 0.80 KDM1A (0.45) KCNN4
SCHEMBL10891460 0.80 GAA (0.42) KCNN4SMN1; SMN2RAB9AEPHX2EPHX1
SCHEMBL9278696 0.80 GAA (0.42) SMN1; SMN2RAB9AEPHX2EPHX1GAA
SCHEMBL8713048 0.80 KDM1A (0.45) KCNN4
SCHEMBL1476945 0.80 KCNN4 (0.39) KCNN4SMN1; SMN2RAB9AEPHX2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12129237-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2024-10-29 — — US disclosed
CN-117043164-A Imidazopyridazine or pyrazolopyrimidine compounds and compositions 安锐生物医药科技(广州)有限公司 2023-11-10 — — CN disclosed
US-11325890-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2022-05-10 — — 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 (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-12129237-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 KCNN4 4722/4885SMN1; SMN2 3353/4885RAB9A 3876/4885
US-11325890-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 KCNN4 4722/4885SMN1; SMN2 3353/4885RAB9A 3876/4885

“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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