SCHEMBL403926

SCHEMBL403926

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.41
HSD17B10 Q99714 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NTRK1 P04629 5/20 0.40
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
TYK2 P29597 2/20 0.39
HTT P42858 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.36
TGFBR1 P36897 2/20 0.36
JAK2 O60674 2/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL406323 0.90 NTRK1 (0.43) SYKHSD17B10KDM4EALDH1A1NTRK1
SCHEMBL405047 0.88 TP53 (0.41) SYKHSD17B10KDM4EALDH1A1NTRK1
SCHEMBL401642 0.88 NTRK1 (0.44) SYKHSD17B10KDM4EALDH1A1NTRK1
SCHEMBL399825 0.86 TP53 (0.40) HSD17B10KDM4EALDH1A1NTRK1HPGD
SCHEMBL403801 0.85 SYK (0.56) SYKNTRK1LMNAHTTIRAK4
SCHEMBL405420 0.85 ALDH1A1 (0.41) SYKHSD17B10KDM4EALDH1A1NTRK1
SCHEMBL405579 0.84 ALDH1A1 (0.54) HSD17B10KDM4EALDH1A1NTRK1HPGD
SCHEMBL404689 0.84 SYK (0.46) SYKHSD17B10KDM4EALDH1A1NTRK1
SCHEMBL402580 0.83 ALDH1A1 (0.48) HSD17B10KDM4EALDH1A1HPGDLMNA
SCHEMBL404760 0.82 NTRK1 (0.55) HSD17B10KDM4ENTRK1TYK2TGFBR1

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 SYK 26/4885HSD17B10 2335/4885KDM4E 1299/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 SYK 26/4885HSD17B10 2335/4885KDM4E 1299/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 SYK 26/4885HSD17B10 2335/4885KDM4E 1299/4885

“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.