SCHEMBL1662461

SCHEMBL1662461

N#CCCCn1cc(N)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.40
JAK1 P23458 9/20 0.40
JAK3 P52333 9/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MET P08581 1/20 0.38
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
TYK2 P29597 5/20 0.34
STAT3 P40763 5/20 0.34
CSNK2A1 P68400 1/20 0.33
CYP1A2 P05177 1/20 0.33
HSP90B1 P14625 1/20 0.32

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
SCHEMBL28052722 1.00 JAK2 (0.40) JAK2JAK1JAK3MAPTLMNA
SCHEMBL1662812 0.89 MAPT (0.41) JAK2JAK1JAK3MAPTLMNA
SCHEMBL28826010 0.89 MAPT (0.41) JAK2JAK1JAK3MAPTLMNA
SCHEMBL612055 0.77
SCHEMBL15650950 0.76 L3MBTL1 (0.44) MAPTLMNAALDH1A1PKML3MBTL1
SCHEMBL15986772 0.76 MAPT (0.42) JAK2JAK1JAK3MAPTLMNA
SCHEMBL16943123 0.76 MAPT (0.46) MAPTLMNAALDH1A1PKML3MBTL1
SCHEMBL31319603 0.75 MAPT (0.42) MAPTLMNAALDH1A1PKML3MBTL1
SCHEMBL17144671 0.74 KDR (0.44) MAPTLMNAALDH1A1PKML3MBTL1
SCHEMBL4495152 0.74 MAPT (0.45) MAPTLMNAALDH1A1PKML3MBTL1

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-9745320-B2 Five-and-six-membered heterocyclic compound, and preparation method, pharmaceutical composition and use thereof GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2017-08-29 US disclosed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
CN-102666545-A Heterocyclyl pyrazolopyrimidine analogues as jak inhibitors CELLZOME LTD 2012-09-12 CN disclosed
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 WO 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 (1 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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 JAK2 3/4885JAK1 1/4885JAK3 2/4885

“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.