SCHEMBL405579

SCHEMBL405579

CN(c1cccnc1)c1ccn2ncc(C(=O)NCc3ccccc3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 5/20 0.54
HSD17B10 Q99714 2/20 0.54
HPGD P15428 4/20 0.50
USP2 O75604 2/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 3/20 0.45
HTT P42858 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.42
NTRK1 P04629 2/20 0.42
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42

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
SCHEMBL402580 0.94 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL406323 0.87 NTRK1 (0.43) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL405420 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL403236 0.85 HTT (0.53) ALDH1A1HPGDLMNAHTTNPC1
SCHEMBL405047 0.85 TP53 (0.41) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL401642 0.85 NTRK1 (0.44) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL403926 0.84 SYK (0.41) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL399825 0.83 TP53 (0.40) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL405447 0.83 NTRK1 (0.45) ALDH1A1KDM4EHSD17B10NPC1KMT2A
SCHEMBL406237 0.83 NTRK1 (0.45) ALDH1A1KDM4EHSD17B10NPC1KMT2A

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 6 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
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 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 (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 ALDH1A1 1236/4885KDM4E 1299/4885HSD17B10 2335/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 ALDH1A1 1236/4885KDM4E 1299/4885HSD17B10 2335/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 ALDH1A1 1236/4885KDM4E 1299/4885HSD17B10 2335/4885

“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.