SCHEMBL405047

SCHEMBL405047

CCCCNC(=O)c1cnn2ccc(N(C)c3cccnc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 3/20 0.41
KLK7 P49862 1/20 0.41
HSD17B10 Q99714 3/20 0.40
NTRK1 P04629 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
POLB P06746 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL399825 0.96 TP53 (0.40) TP53ALDH1A1HPGDKDM4EKLK7
SCHEMBL406323 0.90 NTRK1 (0.43) ALDH1A1HPGDKDM4EHSD17B10NTRK1
SCHEMBL401642 0.89 NTRK1 (0.44) TP53ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL403926 0.88 SYK (0.41) ALDH1A1HPGDKDM4EHSD17B10NTRK1
SCHEMBL405420 0.86 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHSD17B10NTRK1
SCHEMBL405579 0.85 ALDH1A1 (0.54) TP53ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL402580 0.84 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EHSD17B10LMNA
SCHEMBL405633 0.84 PDE2A (0.44) ALDH1A1KDM4EHSD17B10NTRK1HTT
SCHEMBL402267 0.83 NTRK1 (0.49) ALDH1A1KDM4EHSD17B10NTRK1
SCHEMBL401205 0.83 NTRK1 (0.44) ALDH1A1HPGDKDM4EHSD17B10NTRK1

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 TP53 293/4885ALDH1A1 1236/4885HPGD 2251/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 TP53 293/4885ALDH1A1 1236/4885HPGD 2251/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 TP53 293/4885ALDH1A1 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.