SCHEMBL19552154

SCHEMBL19552154

O=c1[nH]ncn1C[C@H](O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ TGFBR1 P36897 1/20 0.31
▸ MEN1 O00255 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
SCHEMBL19552155 1.00 HTT (0.35) HTTKMT2ALMNAADORA3ADORA2A
SCHEMBL8721237 0.73 HTT (0.39) HTTADORA3ADORA2AADORA2BADORA1
SCHEMBL29810776 0.71 PDE4B (0.35) HTTKMT2ALMNAMEN1
SCHEMBL27219170 0.70 PKM (0.54) LMNA
SCHEMBL27219168 0.70 PKM (0.54) LMNA
SCHEMBL27219275 0.70 PKM (0.54) LMNA
SCHEMBL29810763 0.69 TK1 (0.37) KMT2ALMNA
SCHEMBL15046620 0.62 KDM4E (0.50) HTTKMT2ALMNATGFBR1MEN1
SCHEMBL15046561 0.62 KDM4E (0.50) HTTKMT2ALMNATGFBR1MEN1
SCHEMBL15046635 0.62 KDM4E (0.50) HTTKMT2ALMNATGFBR1MEN1

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
EP-3452469-A1 FLUOROALKYL-SUBSTITUTED ARYLTRIAZOLE DERIVATIVES AND USES THEREOF Bayer Pharma Aktiengesellschaft (DE) 2019-03-13 — — EP claimed
WO-2017191112-A1 FLUOROALKYL-SUBSTITUTED ARYLTRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-09 — — WO claimed
US-11331314-B2 Amine substituted triazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-17 — — 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-11331314-B2 Amine substituted triazole derivatives and uses thereof GLS, TNNI3, NAT1 HTT 2209/4885KMT2A 2415/4885LMNA 1495/4885

“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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