SCHEMBL405863

SCHEMBL405863

O=C(Nc1ccccc1)c1cnn2ccc(NCc3ccc4c(c3)OCO4)nc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.59
RAB9A P51151 3/20 0.55
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
NTRK1 P04629 3/20 0.50
KDR P35968 1/20 0.50
BRAF P15056 1/20 0.47
GALR2 O43603 1/20 0.46
HPGD P15428 2/20 0.46
PLEC Q15149 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KCNH2 Q12809 1/20 0.45
PKM P14618 1/20 0.44
PIM1 P11309 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 0.85 PIM1 (0.54) RETRAB9ANPC1SMN1; SMN2NTRK1
SCHEMBL402166 0.83 NTRK1 (0.51) RETRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL403245 0.83 NTRK1 (0.54) RETRAB9ANPC1SMN1; SMN2NTRK1
SCHEMBL405862 0.82 NTRK1 (0.61) RETRAB9ANPC1SMN1; SMN2TP53
SCHEMBL405544 0.82 NTRK1 (0.54) RETRAB9ANPC1SMN1; SMN2NTRK1
SCHEMBL403483 0.82 RET (0.50) RETRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL404615 0.82 NTRK1 (0.54) RETRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL16460388 0.82 SMN1; SMN2 (0.48) RETRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL403713 0.82 FYN (0.51) RETRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL403243 0.81 NTRK1 (0.68) RETRAB9ANPC1SMN1; SMN2NTRK1

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 80/4885RAB9A 869/4885ALDH1A1 1236/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 RET 80/4885RAB9A 869/4885ALDH1A1 1236/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 RET 80/4885RAB9A 869/4885ALDH1A1 1236/4885

“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.