SCHEMBL402580

SCHEMBL402580

Cc1ccc(CNC(=O)c2cnn3ccc(N(C)c4cccnc4)nc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 6/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 5/20 0.47
NAMPT P43490 1/20 0.45
KMT2A Q03164 3/20 0.44
PDE2A O00408 2/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 2/20 0.42
HTT P42858 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL405579 0.94 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL406323 0.86 NTRK1 (0.43) ALDH1A1KDM4EHSD17B10HPGDHTT
SCHEMBL405420 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL405047 0.84 TP53 (0.41) ALDH1A1KDM4EHSD17B10HPGDHTT
SCHEMBL401642 0.84 NTRK1 (0.44) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL403926 0.83 SYK (0.41) ALDH1A1KDM4EHSD17B10HPGDHTT
SCHEMBL399825 0.83 TP53 (0.40) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL405076 0.83 NPC1 (0.53) ALDH1A1HPGDKMT2ASMN1; SMN2NPC1
SCHEMBL406237 0.82 NTRK1 (0.45) ALDH1A1KDM4EHSD17B10KMT2ANPC1
SCHEMBL405447 0.82 NTRK1 (0.45) ALDH1A1KDM4EHSD17B10KMT2ANPC1

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.