SCHEMBL4977409

SCHEMBL4977409

C=CCOc1cc(C(F)(F)F)nn1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 4/20 0.47
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
TGFBR1 P36897 1/20 0.37
KDM4E B2RXH2 2/20 0.33
PKM P14618 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
STIM1 Q13586 1/20 0.32
ORAI1 Q96D31 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
KDR P35968 1/20 0.32
AGER Q15109 1/20 0.32
HDAC3 O15379 1/20 0.32

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
SCHEMBL4753817 0.80 ALDH1A1 (0.54) KMT2AALDH1A1ADORA2AADORA1TGFBR1
SCHEMBL5198293 0.80 KMT2A (0.54) KMT2AALDH1A1ADORA2AADORA1TGFBR1
SCHEMBL20457202 0.80 KMT2A (0.54) KMT2AALDH1A1ADORA2AADORA1TGFBR1
SCHEMBL4166964 0.78 ALDH1A1 (0.56) KMT2AALDH1A1ADORA2AADORA1TGFBR1
SCHEMBL26750160 0.78 KMT2A (0.51) KMT2AALDH1A1ADORA2AADORA1TGFBR1
SCHEMBL29619559 0.77 ALDH1A1 (0.39) KMT2AALDH1A1KDM4EMEN1
SCHEMBL4737609 0.76 KMT2A (0.50) KMT2AALDH1A1ADORA2AADORA1TGFBR1
SCHEMBL30363332 0.76 KMT2A (0.50) KMT2AALDH1A1ADORA2AADORA1TGFBR1
SCHEMBL13603778 0.75 ALDH1A1 (0.53) KMT2AALDH1A1ADORA2AADORA1TGFBR1
SCHEMBL13490122 0.74 KMT2A (0.54) KMT2AALDH1A1ADORA2AADORA1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326784-B2 Intermediates for the preparation of tricyclic dihydropyrano-imidazo-pyridines derivatives ALTANA PHARMA AG (DE) 2008-02-05 US disclosed
US-20070117786-A1 Intermediates for the preparation of tricyclic dihydropyrano-imidazo-pyridines derivatives ALTANA PHARMA AG (DE) 2007-05-24 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-20070117786-A1 Intermediates for the preparation of tricyclic dihydropyrano-imidazo-pyridines derivatives CYP1A1, CYP3A4, CYP19A1 KMT2A 3507/4885ALDH1A1 298/4885ADORA2A 2476/4885

“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.