SCHEMBL405385

SCHEMBL405385

O=C(Nc1ccccc1)c1cnn2ccc(NCc3cccc(N4CCCC4)c3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.52
PIM1 P11309 2/20 0.49
EPHB3 P54753 1/20 0.46
FLT3 P36888 3/20 0.46
PIM3 Q86V86 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
RET P07949 1/20 0.44
IRAK4 Q9NWZ3 5/20 0.43
MAP4K4 O95819 1/20 0.42
JAK2 O60674 1/20 0.42
HDAC4 P56524 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
SCHEMBL403470 0.92 NTRK1 (0.50) NTRK1PIM1FLT3PIM3PIM2
SCHEMBL405381 0.87 NTRK1 (0.54) NTRK1PIM1EPHB3FLT3RET
SCHEMBL404825 0.86 NTRK1 (0.54) NTRK1PIM1PIM3PIM2RET
SCHEMBL403969 0.86 NTRK1 (0.53) NTRK1PIM1EPHB3FLT3RET
SCHEMBL406018 0.86 PIM1 (0.54) NTRK1PIM1PIM3PIM2MEN1
SCHEMBL405544 0.85 NTRK1 (0.54) NTRK1PIM1PIM3PIM2RET
SCHEMBL405384 0.84 NTRK1 (0.66) NTRK1PIM1FLT3IRAK4JAK2
SCHEMBL403243 0.84 NTRK1 (0.68) NTRK1PIM1PIM3PIM2RET
SCHEMBL16460685 0.84 RAB9A (0.54) NTRK1PIM1EPHB3PIM3PIM2
SCHEMBL406564 0.82 NTRK1 (0.55) NTRK1PIM1EPHB3PIM3PIM2

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 2693/4885PIM1 181/4885EPHB3 2273/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885PIM1 181/4885EPHB3 2273/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885PIM1 181/4885EPHB3 2273/4885

“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.