SCHEMBL405511

SCHEMBL405511

CN(c1cccnc1)c1ccn2ncc(C(=O)Nc3cccc(C(N)=O)c3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
TP53 P04637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.47
BRAF P15056 2/20 0.46
CSF1R P07333 2/20 0.45
ATR Q13535 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GRM5 P41594 2/20 0.43
NLRP3 Q96P20 1/20 0.43
IRAK4 Q9NWZ3 4/20 0.42
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 1/20 0.40
STING1 Q86WV6 1/20 0.40
JAK2 O60674 1/20 0.40

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
SCHEMBL403827 0.90 HTT (0.47) NPC1RAB9AHTTBRAFCSF1R
SCHEMBL406159 0.89 NPC1 (0.57) NPC1RAB9ATP53KDM4EHTT
SCHEMBL404422 0.88 HTT (0.60) NPC1RAB9AKDM4EHTTBRAF
SCHEMBL401371 0.88 HTT (0.48) NPC1RAB9ATP53KDM4EHTT
SCHEMBL403236 0.87 HTT (0.53) NPC1RAB9AHTTSMN1; SMN2NLRP3
SCHEMBL401831 0.86 SMN1; SMN2 (0.51) NPC1RAB9AKDM4EHTTBRAF
SCHEMBL401813 0.84 HTT (0.49) NPC1RAB9AHTTBRAFCSF1R
SCHEMBL403751 0.83 TGFBR1 (0.48) HTTIRAK4JAK2
SCHEMBL405379 0.83 HTT (0.48) NPC1RAB9AHTTCSF1RSMN1; SMN2
SCHEMBL404915 0.83 HTT (0.48) NPC1RAB9AHTTSMN1; SMN2IRAK4

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 NPC1 2785/4885RAB9A 869/4885TP53 293/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NPC1 2785/4885RAB9A 869/4885TP53 293/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NPC1 2785/4885RAB9A 869/4885TP53 293/4885

“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.