SCHEMBL15428684

SCHEMBL15428684

Nc1c[nH]nc1-c1cc(Cl)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.46
PDE4D Q08499 1/20 0.46
TSHR P16473 3/20 0.44
TP53 P04637 2/20 0.44
IDO1 P14902 5/20 0.44
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 4/20 0.39
RXFP1 Q9HBX9 1/20 0.39
AGPAT2 O15120 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALOX15 P16050 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
SLC9A1 P19634 1/20 0.34
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL10769072 0.86 MAPT (0.44) TSHRTP53IDO1CYP3A4ALDH1A1
SCHEMBL12943009 0.81 ALDH1A1 (0.50) TSHRALDH1A1RXFP1AGPAT2SMN1; SMN2
SCHEMBL11626670 0.81 IDO1 (0.45) HTR2BPDE4DTP53IDO1CYP3A4
SCHEMBL17271432 0.77 JAK2 (0.36) TSHRIDO1MAPTJAK2JAK1
SCHEMBL31237129 0.77 MAPK1 (0.45) PDE4DTSHRCYP3A4ALDH1A1ALOX15
SCHEMBL30099879 0.77 JAK2 (0.36) TSHRIDO1MAPTJAK2JAK1
SCHEMBL942319 0.76 NMT1 (0.38) HTR2BIDO1SMN1; SMN2MAPTHPGD
Hydrochloric Acid SCHEMBL30099896 0.76 JAK2 (0.36) TSHRIDO1ALDH1A1SMN1; SMN2MAPT
SCHEMBL27828569 0.74 MKNK1 (0.43) HTR2BTP53RXFP1MEN1KMT2A
SCHEMBL942446 0.72 ADORA2A (0.46) IDO1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTR2B 3370/4885PDE4D 989/4885TSHR 900/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTR2B 3370/4885PDE4D 989/4885TSHR 900/4885

“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.