SCHEMBL403981

SCHEMBL403981

O=C(Nc1ccccc1)c1cnn2ccc(NCc3ccccc3Cl)nc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
HSD17B10 Q99714 1/20 0.53
IRAK4 Q9NWZ3 10/20 0.52
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NLRP3 Q96P20 1/20 0.44
EPHB3 P54753 4/20 0.44
RIPK2 O43353 1/20 0.43
LCK P06239 1/20 0.43
NTRK1 P04629 2/20 0.43
JAK2 O60674 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
SCHEMBL405801 0.93 IRAK4 (0.50) KDM4EPKMHSD17B10IRAK4PIM1
SCHEMBL407024 0.89 PIM1 (0.47) IRAK4PIM1PIM3PIM2NPC1
SCHEMBL402197 0.88 NTRK1 (0.47) IRAK4PIM1PIM3PIM2EPHB3
SCHEMBL406018 0.86 PIM1 (0.54) IRAK4PIM1PIM3PIM2NPC1
SCHEMBL16460388 0.86 SMN1; SMN2 (0.48) KDM4EIRAK4PIM1PIM3PIM2
SCHEMBL402166 0.85 NTRK1 (0.51) IRAK4PIM1PIM3PIM2NPC1
SCHEMBL401713 0.85 NTRK1 (0.47) IRAK4PIM1PIM3PIM2NPC1
SCHEMBL404803 0.85 NTRK1 (0.49) IRAK4PIM1PIM3PIM2NPC1
SCHEMBL405653 0.85 KDM4E (0.53) KDM4EPKMHSD17B10IRAK4PIM1
SCHEMBL405515 0.84 PIM1 (0.45) IRAK4PIM1PIM3PIM2RAB9A

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 KDM4E 1299/4885PKM 322/4885HSD17B10 2335/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KDM4E 1299/4885PKM 322/4885HSD17B10 2335/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KDM4E 1299/4885PKM 322/4885HSD17B10 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.