SCHEMBL860677

SCHEMBL860677

CC(C)(C)c1cccc(Nc2ccn3ncc(/C=C4/NC(=O)NC4=O)c3n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
HPGD P15428 4/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 6/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
FLT3 P36888 1/20 0.36
MAPK1 P28482 1/20 0.36
CSNK2B P67870 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE4D Q08499 1/20 0.35
CSNK2A2 P19784 1/20 0.35
PIM1 P11309 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL860678 1.00 TYK2 (0.41) TYK2JAK2JAK1JAK3HPGD
SCHEMBL12978962 1.00 TYK2 (0.41) TYK2JAK2JAK1JAK3HPGD
SCHEMBL19527184 0.88 KDM4E (0.46) TYK2JAK2JAK1JAK3HPGD
SCHEMBL12978737 0.86 CSNK2B (0.46) HPGDALDH1A1KDM4EPKMMAPK1
SCHEMBL861027 0.86 CSNK2B (0.46) HPGDALDH1A1KDM4EPKMMAPK1
SCHEMBL861026 0.86 CSNK2B (0.46) HPGDALDH1A1KDM4EPKMMAPK1
SCHEMBL14679086 0.86 TYK2 (0.40) TYK2JAK2JAK1JAK3FLT3
SCHEMBL3483094 0.84 NR1H4 (0.43) TYK2JAK2JAK1JAK3HPGD
SCHEMBL12978963 0.84 NR1H4 (0.43) TYK2JAK2JAK1JAK3HPGD
SCHEMBL3483095 0.84 NR1H4 (0.43) TYK2JAK2JAK1JAK3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367681-B2 Pyrazolopyrimidines and related heterocycles as kinase inhibitors CYLENE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367681-B2 Pyrazolopyrimidines and related heterocycles as kinase inhibitors CYLENE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367681-B2 Pyrazolopyrimidines and related heterocycles as kinase inhibitors CYLENE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
EP-2432473-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS Cylene Pharmaceuticals, Inc. (US) 2012-03-28 EP disclosed
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
WO-2010135581-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2010-11-25 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-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS PIM1, PIM2, PIM3 TYK2 35/4885JAK2 24/4885JAK1 65/4885

“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.