SCHEMBL1665411

SCHEMBL1665411

Cn1cc(Nc2ncc3cnn(Cc4cc(F)cc(C(=O)N5CCNCC5)c4)c3n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 2/20 0.42
NTRK1 P04629 3/20 0.42
JAK3 P52333 11/20 0.41
CDK1 P06493 3/20 0.39
CCND1 P24385 3/20 0.39
CDK6 Q00534 3/20 0.39
CCNT1 O60563 2/20 0.39
CDK4 P11802 2/20 0.39
CCNA2 P20248 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
CCND3 P30281 2/20 0.39
CDK9 P50750 2/20 0.39
CDK3 Q00526 2/20 0.39
CDK5R1 Q15078 2/20 0.39
JAK2 O60674 7/20 0.39
JAK1 P23458 7/20 0.39
CDK7 P50613 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38

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
SCHEMBL1663086 0.90 NTRK1 (0.44) STAT6NTRK1JAK3CDK1CCND1
SCHEMBL671506 0.87 CCNA2 (0.42) NTRK1JAK3CDK1CCND1CDK6
SCHEMBL672210 0.84 STAT6 (0.54) STAT6JAK3CCND1CDK4CCNA2
SCHEMBL12796380 0.83 STAT6 (0.47) STAT6JAK3JAK2JAK1TYK2
SCHEMBL1662981 0.81 STAT6 (0.43) STAT6JAK3JAK2JAK1TYK2
SCHEMBL673361 0.79 JAK3 (0.42) STAT6JAK3CDK2CDK9JAK2
SCHEMBL15122389 0.78 JAK3 (0.41) STAT6JAK3JAK2JAK1TYK2
SCHEMBL671980 0.78 JAK3 (0.50) NTRK1JAK3CDK1CCNT1CCNA2
SCHEMBL12797103 0.78 LMNA (0.45) STAT6JAK3CCNA2CDK2JAK2
SCHEMBL12802025 0.77 JAK3 (0.42) STAT6JAK3CCND1CCNT1CDK4

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US claimed
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2013-07-25 US claimed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US claimed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-9040545-B2 Heterocyclyl pyrazolopyrimidine analogues as selective JAK inhibitors CELLZOME LIMITED (GB) 2015-05-26 US disclosed
US-9040545-B2 Heterocyclyl pyrazolopyrimidine analogues as selective JAK inhibitors CELLZOME LIMITED (GB) 2015-05-26 US disclosed
US-9040545-B2 Heterocyclyl pyrazolopyrimidine analogues as selective JAK inhibitors CELLZOME LIMITED (GB) 2015-05-26 US disclosed
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2013-07-25 US disclosed
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2013-07-25 US disclosed
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2013-07-25 US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 WO disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 WO 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 (2 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 STAT6 36/4885NTRK1 4772/4885JAK3 2/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 STAT6 36/4885NTRK1 4682/4885JAK3 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.