SCHEMBL15428608

SCHEMBL15428608

Cc1cc(C(N)=O)n(-c2c(F)cccc2Br)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
WNT3A P56704 1/20 0.41
F10 P00742 6/20 0.39
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
SCN9A Q15858 3/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
MAPT P10636 3/20 0.36
MAPK14 Q16539 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL15428747 0.90 ALDH1A1 (0.41) KMT2AMEN1F10F2PRSS1
SCHEMBL15428711 0.86 KMT2A (0.41) KMT2AMEN1F10F2PRSS1
SCHEMBL15428623 0.86 KMT2A (0.41) KMT2AMEN1F10F2PRSS1
SCHEMBL15428627 0.84 SCN9A (0.40) KMT2AMEN1F10F2PRSS1
SCHEMBL15428780 0.81 F10 (0.37) KMT2AMEN1F10F2PRSS1
SCHEMBL15428609 0.79 ALDH1A1 (0.49) KMT2AMEN1WNT3AALDH1A1MAPT
SCHEMBL15428636 0.79 KMT2A (0.45) KMT2AF10F2PRSS1PRSS2
SCHEMBL15428602 0.78 JAK2 (0.43) KMT2AMEN1WNT3AF10ALDH1A1
SCHEMBL15428647 0.76 L3MBTL1 (0.44) KMT2AMEN1ALDH1A1HPGDSCN9A
SCHEMBL15428579 0.74 KMT2A (0.54) KMT2AMEN1F10F2PRSS1

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KMT2A 1030/4885MEN1 2920/4885WNT3A 2425/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KMT2A 1030/4885MEN1 2920/4885WNT3A 2425/4885

“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.