SCHEMBL406520

SCHEMBL406520

CCCNC(=O)c1cnn2ccc(NCc3ncccc3Cl)nc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
KDM4E B2RXH2 3/20 0.49
PKM P14618 1/20 0.49
PIM1 P11309 3/20 0.45
PIM3 Q86V86 3/20 0.45
PIM2 Q9P1W9 3/20 0.45
NTRK1 P04629 3/20 0.42
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
IRAK4 Q9NWZ3 5/20 0.41
MAPT P10636 1/20 0.41
RET P07949 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
STING1 Q86WV6 1/20 0.39

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
SCHEMBL406581 0.90 PIM1 (0.46) HSD17B10KDM4EPKMPIM1PIM3
SCHEMBL404222 0.89 NTRK1 (0.46) HSD17B10KDM4EPKMPIM1PIM3
SCHEMBL406519 0.86 KDM4E (0.46) HSD17B10KDM4EPKMPIM1PIM3
SCHEMBL19237445 0.77 IRAK4 (0.49) PIM1PIM3PIM2NTRK1HPGD
SCHEMBL405048 0.77 RET (0.55) HSD17B10KDM4EPIM1PIM3PIM2
SCHEMBL406580 0.76 PIM1 (0.44) HSD17B10PIM1PIM3PIM2NTRK1
SCHEMBL399826 0.75 RET (0.54) HSD17B10KDM4EPIM1PIM3PIM2
SCHEMBL404221 0.75 NTRK1 (0.46) PIM1PIM3PIM2NTRK1IRAK4
SCHEMBL406556 0.74 NTRK1 (0.49) NTRK1IRAK4
SCHEMBL406629 0.74 KDM4E (0.43) HSD17B10KDM4EPIM1PIM3PIM2

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

“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.