SCHEMBL402656

SCHEMBL402656

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 6/20 0.56
JAK2 O60674 1/20 0.56
JAK1 P23458 1/20 0.56
TYK2 P29597 1/20 0.56
JAK3 P52333 1/20 0.56
NTRK1 P04629 3/20 0.53
ABL1 P00519 1/20 0.48
EGFR P00533 1/20 0.48
CSF1R P07333 1/20 0.48
PDGFRB P09619 1/20 0.48
KIT P10721 1/20 0.48
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL403243 0.88 NTRK1 (0.68) JAK2JAK1TYK2JAK3NTRK1
SCHEMBL406018 0.87 PIM1 (0.54) NTRK1PIM1PIM3PIM2MEN1
SCHEMBL405544 0.87 NTRK1 (0.54) JAK2JAK1TYK2JAK3NTRK1
SCHEMBL404825 0.86 NTRK1 (0.54) JAK2JAK1TYK2JAK3NTRK1
SCHEMBL16460685 0.86 RAB9A (0.54) JAK2JAK1TYK2JAK3NTRK1
SCHEMBL403245 0.84 NTRK1 (0.54) JAK2JAK1TYK2JAK3NTRK1
SCHEMBL406047 0.84 NTRK1 (0.57) JAK2JAK1TYK2JAK3NTRK1
SCHEMBL406564 0.84 NTRK1 (0.55) NTRK1PIM1PIM3PIM2MAPT
SCHEMBL406191 0.84 NTRK1 (0.51) JAK2JAK1TYK2JAK3NTRK1
SCHEMBL404615 0.83 NTRK1 (0.54) NTRK1PIM1PIM3PIM2MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 RXFP1 1838/4885JAK2 1/4885JAK1 2/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 RXFP1 1838/4885JAK2 1/4885JAK1 2/4885

“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.