SCHEMBL404803

SCHEMBL404803

O=C(Nc1ccccc1)c1cnn2ccc(NCc3cc(Cl)cc(Cl)c3)nc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
NLRP3 Q96P20 1/20 0.48
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
IRAK4 Q9NWZ3 7/20 0.47
RET P07949 4/20 0.47
JAK2 O60674 1/20 0.46
EPHB3 P54753 1/20 0.43

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
SCHEMBL16460685 0.92 RAB9A (0.54) NTRK1SMN1; SMN2NPC1RAB9ANLRP3
SCHEMBL16460388 0.91 SMN1; SMN2 (0.48) NTRK1SMN1; SMN2NPC1RAB9ANLRP3
SCHEMBL406018 0.90 PIM1 (0.54) NTRK1SMN1; SMN2NPC1RAB9APIM1
SCHEMBL402166 0.88 NTRK1 (0.51) NTRK1SMN1; SMN2NPC1RAB9ANLRP3
SCHEMBL406047 0.88 NTRK1 (0.57) NTRK1SMN1; SMN2NPC1RAB9ANLRP3
SCHEMBL403245 0.86 NTRK1 (0.54) NTRK1SMN1; SMN2NPC1RAB9ANLRP3
SCHEMBL405036 0.85 HIF1A (0.51) NTRK1NPC1RAB9APIM1PIM3
SCHEMBL405544 0.85 NTRK1 (0.54) NTRK1SMN1; SMN2NPC1RAB9ANLRP3
SCHEMBL403483 0.85 RET (0.50) NTRK1SMN1; SMN2NPC1RAB9APIM1
SCHEMBL403981 0.85 KDM4E (0.53) NTRK1SMN1; SMN2NPC1RAB9ANLRP3

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 2693/4885SMN1; SMN2 2551/4885NPC1 2785/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885SMN1; SMN2 2551/4885NPC1 2785/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885SMN1; SMN2 2551/4885NPC1 2785/4885

“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.