SCHEMBL18816639

SCHEMBL18816639

Cc1cccc(C(=O)NCc2ccc(B(O)O)cc2)c1C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MT-CO2 P00403 3/20 0.55
▸ TRPV1 Q8NER1 3/20 0.52
▸ MAPK1 P28482 1/20 0.51
▸ HPGD P15428 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HTT P42858 1/20 0.44

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
SCHEMBL17339617 0.89 MAPK1 (0.65) MT-CO2TRPV1MAPK1HPGDKDM4E
SCHEMBL18641946 0.86 HPGD (0.54) MT-CO2TRPV1MAPK1HPGDKDM4E
SCHEMBL17339374 0.86 HTT (0.58) MT-CO2TRPV1MAPK1HPGDKDM4E
SCHEMBL30498656 0.85 HPGD (0.64) MT-CO2MAPK1HPGDKDM4EALDH1A1
SCHEMBL28598299 0.80 MAPK1 (0.78) MT-CO2MAPK1HPGDKDM4EALDH1A1
SCHEMBL19494059 0.78 ALDH2 (0.58) TRPV1ALDH1A1KMT2AMEN1
SCHEMBL17339519 0.78 TRPV1 (0.52) TRPV1ALDH1A1APEX1KMT2AHTT
SCHEMBL18641812 0.78 TRPV1 (0.56) MT-CO2TRPV1MAPK1HPGDKDM4E
SCHEMBL17339267 0.77 TRPV1 (0.58) TRPV1HPGDALDH1A1APEX1KMT2A
SCHEMBL17339231 0.77 TRPV1 (0.58) MT-CO2TRPV1HPGDALDH1A1APEX1

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-9975897-B2 Pyrazolopyrimidine derivatives useful as inhibitors of Bruton's tyrosine kinase LOXO ONCOLOGY, INC. (US) 2018-05-22 — — US disclosed
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase LOXO ONCOLOGY, INC. 2017-05-11 — — 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-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LCK MT-CO2 3394/4885TRPV1 3141/4885MAPK1 290/4885

“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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