SCHEMBL405580

SCHEMBL405580

O=C(NCc1ccccc1)c1cnn2ccc(NCc3cccnc3)nc12

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 2/20 0.61
HSD17B10 Q99714 2/20 0.61
RET P07949 3/20 0.59
PIM1 P11309 2/20 0.56
FYN P06241 5/20 0.56
PIM3 Q86V86 1/20 0.54
PIM2 Q9P1W9 1/20 0.54
USP2 O75604 1/20 0.54
HPGD P15428 2/20 0.53
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 1/20 0.50
NTRK1 P04629 2/20 0.49
LMNA P02545 1/20 0.47

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
SCHEMBL402581 0.92 RET (0.55) ALDH1A1KDM4EHSD17B10RETPIM1
SCHEMBL13355513 0.90 RET (0.61) ALDH1A1KDM4EHSD17B10RETPIM1
SCHEMBL403237 0.89 RET (0.58) ALDH1A1KDM4EHSD17B10RETPIM1
SCHEMBL406324 0.89 RET (0.60) ALDH1A1KDM4EHSD17B10RETPIM1
SCHEMBL405421 0.87 RET (0.56) ALDH1A1KDM4EHSD17B10RETPIM1
SCHEMBL401643 0.86 FYN (0.57) ALDH1A1KDM4EHSD17B10RETPIM1
SCHEMBL405048 0.86 RET (0.55) ALDH1A1KDM4EHSD17B10RETPIM1
SCHEMBL404423 0.86 HTT (0.60) ALDH1A1KDM4EHSD17B10RETPIM1
SCHEMBL403927 0.85 RET (0.54) ALDH1A1KDM4EHSD17B10RETPIM1
SCHEMBL406810 0.85 PIM1 (0.56) ALDH1A1KDM4EHSD17B10RETPIM1

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 13 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
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
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
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-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-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
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US disclosed
WO-2010051549-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-05-06 WO 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.