SCHEMBL406148

SCHEMBL406148

CCOC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1N

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.72
ALDH1A1 P00352 3/20 0.69
HPGD P15428 3/20 0.69
MAPT P10636 9/20 0.65
RAB9A P51151 5/20 0.65
NPC1 O15118 5/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
TSHR P16473 3/20 0.64
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TP53 P04637 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP3A4 P08684 1/20 0.55
APP P05067 1/20 0.54
ADORA1 P30542 1/20 0.54
RECQL P46063 1/20 0.49

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
SCHEMBL31117124 1.00 HTT (0.72) HTTALDH1A1HPGDMAPTRAB9A
SCHEMBL8341452 0.89 HTT (0.56) HTTALDH1A1HPGDMAPTRAB9A
SCHEMBL31117171 0.89 MAPT (0.67) HTTALDH1A1HPGDMAPTRAB9A
SCHEMBL8344850 0.86 ALDH1A1 (0.75) HTTALDH1A1HPGDMAPTRAB9A
SCHEMBL31117228 0.85 HTT (0.77) HTTALDH1A1HPGDMAPTRAB9A
SCHEMBL4077162 0.85 HTT (0.77) HTTALDH1A1HPGDMAPTRAB9A
SCHEMBL31117178 0.85 HTT (0.80) HTTALDH1A1HPGDMAPTRAB9A
SCHEMBL11128807 0.85 HTT (0.80) HTTALDH1A1HPGDMAPTRAB9A
SCHEMBL10340638 0.84 HTT (1.00) HTTALDH1A1HPGDMAPTRAB9A
SCHEMBL10340640 0.84 HTT (0.78) HTTALDH1A1HPGDMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118619953-A Dihydropyrazolopyrimidino-pyrido-indol-4-one derivative and application thereof 新疆工程学院 2024-09-10 CN disclosed
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US disclosed
EP-2348860-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2011-08-03 EP disclosed
WO-2010051549-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-05-06 WO disclosed
WO-2010051549-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-05-06 WO 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 (3 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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTT 4391/4885ALDH1A1 1236/4885HPGD 2251/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTT 4391/4885ALDH1A1 1236/4885HPGD 2251/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTT 4391/4885ALDH1A1 1236/4885HPGD 2251/4885

“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.