SCHEMBL405051

SCHEMBL405051

O=C(Nc1ccccc1)c1cnn2ccc(NCc3cccc(Cn4cccn4)c3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.50
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 3/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 2/20 0.47
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
RET P07949 5/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NLRP3 Q96P20 1/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 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
SCHEMBL406340 0.86 NTRK1 (0.51) NTRK1ALOX15HSD17B10KMT2ATSHR
SCHEMBL406018 0.86 PIM1 (0.54) NTRK1KMT2AMEN1PIM1PIM3
SCHEMBL405544 0.85 NTRK1 (0.54) NTRK1PIM1PIM3PIM2RET
SCHEMBL404825 0.84 NTRK1 (0.54) NTRK1PIM1PIM3PIM2RET
SCHEMBL403243 0.84 NTRK1 (0.68) NTRK1PIM1PIM3PIM2RET
SCHEMBL16460685 0.84 RAB9A (0.54) NTRK1PIM1PIM3PIM2RET
SCHEMBL403281 0.84 NTRK1 (0.57) NTRK1KMT2APIM1PIM3PIM2
SCHEMBL405050 0.83 NTRK1 (0.64) NTRK1HSD17B10ALDH1A1IRAK4
SCHEMBL403925 0.82 NTRK1 (0.53) NTRK1PIM1PIM3PIM2RET
SCHEMBL403237 0.82 RET (0.58) NTRK1HSD17B10PIM1PIM3PIM2

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 NTRK1 2693/4885ALOX15 3608/4885HSD17B10 2335/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885ALOX15 3608/4885HSD17B10 2335/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885ALOX15 3608/4885HSD17B10 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.