SCHEMBL403483

SCHEMBL403483

Cc1ccc(CNc2ccn3ncc(C(=O)Nc4ccccc4)c3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.50
PIM1 P11309 1/20 0.48
PIM3 Q86V86 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
NTRK1 P04629 3/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KLF5 Q13887 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
IRAK4 Q9NWZ3 6/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL406018 0.93 PIM1 (0.54) RETPIM1PIM3PIM2NTRK1
SCHEMBL404615 0.90 NTRK1 (0.54) RETPIM1PIM3PIM2NTRK1
SCHEMBL16460388 0.90 SMN1; SMN2 (0.48) RETPIM1PIM3PIM2NTRK1
SCHEMBL403721 0.86 RET (0.55) RETPIM1PIM3PIM2NTRK1
SCHEMBL403713 0.85 FYN (0.51) RETNTRK1NPC1RAB9ASMN1; SMN2
SCHEMBL402166 0.85 NTRK1 (0.51) RETPIM1PIM3PIM2NTRK1
SCHEMBL403245 0.85 NTRK1 (0.54) RETPIM1PIM3PIM2NTRK1
SCHEMBL405250 0.85 IRAK4 (0.50) PIM1PIM3PIM2NPC1RAB9A
SCHEMBL406047 0.85 NTRK1 (0.57) RETPIM1PIM3PIM2NTRK1
SCHEMBL404803 0.85 NTRK1 (0.49) RETPIM1PIM3PIM2NTRK1

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 RET 80/4885PIM1 181/4885PIM3 291/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 RET 80/4885PIM1 181/4885PIM3 291/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 RET 80/4885PIM1 181/4885PIM3 291/4885

“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.