SCHEMBL406767

SCHEMBL406767

O=C(Nc1ccccc1)c1cnn2ccc(NCC3CCNCC3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.51
PIM3 Q86V86 5/20 0.47
PIM2 Q9P1W9 5/20 0.47
PIM1 P11309 3/20 0.47
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTR6 P50406 1/20 0.44
MEN1 O00255 1/20 0.44
KLF5 Q13887 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
MAP4K3 Q8IVH8 1/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 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
SCHEMBL406766 0.83 TP53 (0.44) PIM3PIM2PIM1HTR6KDM4E
SCHEMBL17387396 0.82 PIM2 (0.68) CHEK1PIM3PIM2PIM1FLT3
SCHEMBL400691 0.71 IRAK4 (0.56) PIM3PIM2PIM1
SCHEMBL406176 0.71 IRAK4 (0.56) PIM3PIM2PIM1
SCHEMBL31027465 0.71 NPC1 (0.76) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL402152 0.70 PIM2 (0.54) PIM3PIM2PIM1FLT3
SCHEMBL21253278 0.69 PLAT (0.57) NPC1RAB9ASMN1; SMN2KDM4EHTT
SCHEMBL26730526 0.69 IRAK4 (0.42) EPHB3
SCHEMBL3628527 0.69 GBA1 (0.53) NPC1RAB9ASMN1; SMN2KHK
SCHEMBL618127 0.68 CHEK1 (1.00) CHEK1

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 5 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-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 CHEK1 333/4885PIM3 291/4885PIM2 114/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CHEK1 333/4885PIM3 291/4885PIM2 114/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CHEK1 333/4885PIM3 291/4885PIM2 114/4885

“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.