SCHEMBL14072797

SCHEMBL14072797

Cc1cc(-c2ccccc2)cc(N)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ DYRK1A Q13627 1/20 0.56
▸ ADORA2A P29274 5/20 0.50
▸ ADORA1 P30542 5/20 0.50
▸ NOS3 P29474 2/20 0.50
▸ NOS2 P35228 2/20 0.50
▸ NOS1 P29475 1/20 0.50
▸ ADORA2B P29275 1/20 0.50
▸ BACE1 P56817 2/20 0.46
▸ NCF1 P14598 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ HTT P42858 1/20 0.45

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
SCHEMBL901375 0.84 MEN1 (0.60) MEN1KMT2ADYRK1AADORA2AADORA1
SCHEMBL4546868 0.84 ADORA2A (0.53) MEN1KMT2AADORA2AADORA1ADORA2B
SCHEMBL27430949 0.82 ADORA2A (0.52) MEN1KMT2AADORA2AADORA1ADORA2B
SCHEMBL9218143 0.78 MEN1 (0.50) MEN1KMT2AADORA2AADORA1ADORA2B
SCHEMBL13933596 0.78 ADORA2A (0.66) MEN1KMT2AADORA2AADORA1ADORA2B
SCHEMBL316979 0.77 MEN1 (0.58) MEN1KMT2AADORA2AADORA1ADORA2B
SCHEMBL4257749 0.77 MEN1 (0.79) MEN1KMT2AADORA2AADORA1ADORA2B
SCHEMBL3185376 0.76 MEN1 (1.00) MEN1KMT2AADORA2AADORA1KDM4E
SCHEMBL23860768 0.75 KDM4E (0.53) MEN1KMT2ADYRK1AADORA2AADORA1
SCHEMBL19417164 0.75 MEN1 (0.83) MEN1KMT2AADORA2AADORA1BACE1

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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 — — US disclosed
CN-113396145-A PFKFB3 inhibitors and uses thereof 盖罗发现有限责任公司 2021-09-14 — — CN disclosed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 — — WO disclosed
US-7429604-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2008-09-30 — — 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 MEN1 3253/4885KMT2A 1147/4885DYRK1A 2727/4885

“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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