SCHEMBL861675

SCHEMBL861675

CC(C)(C)c1cccc(Nc2ccn3ncc(C=O)c3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
JAK3 P52333 1/20 0.47
FLT3 P36888 2/20 0.41
PDE4D Q08499 1/20 0.40
CSNK2A2 P19784 1/20 0.39
EGFR P00533 1/20 0.39
TNNI3K Q59H18 1/20 0.39
PIM1 P11309 4/20 0.39
FYN P06241 4/20 0.38
BRAF P15056 2/20 0.37
PIK3CG P48736 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.35
GRM4 Q14833 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
KCNK18 Q7Z418 1/20 0.35
TGFBR2 P37173 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
SCHEMBL861028 0.83 PIM1 (0.43) TYK2JAK2JAK1JAK3FLT3
SCHEMBL12978962 0.82 TYK2 (0.41) TYK2JAK2JAK1JAK3FLT3
SCHEMBL860678 0.82 TYK2 (0.41) TYK2JAK2JAK1JAK3FLT3
SCHEMBL860677 0.82 TYK2 (0.41) TYK2JAK2JAK1JAK3FLT3
SCHEMBL3483094 0.81 NR1H4 (0.43) TYK2JAK2JAK1JAK3FLT3
SCHEMBL14679086 0.81 TYK2 (0.40) TYK2JAK2JAK1JAK3FLT3
SCHEMBL14679087 0.81 TYK2 (0.40) TYK2JAK2JAK1JAK3FLT3
SCHEMBL12978963 0.81 NR1H4 (0.43) TYK2JAK2JAK1JAK3FLT3
SCHEMBL3483095 0.81 NR1H4 (0.43) TYK2JAK2JAK1JAK3FLT3
SCHEMBL861733 0.80 FYN (0.44) TYK2JAK2JAK1JAK3PIM1

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 15 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-2475652-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS Cylene Pharmaceuticals, Inc. (US) 2012-07-18 EP disclosed
EP-2432473-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS Cylene Pharmaceuticals, Inc. (US) 2012-03-28 EP disclosed
US-20110071115-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS CYLENE PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-20110071115-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS CYLENE PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-20110071115-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS CYLENE PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
WO-2011031979-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS CYLENE PHARMACEUTICALS INC. (US) 2011-03-17 WO disclosed
WO-2011031979-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS CYLENE PHARMACEUTICALS INC. (US) 2011-03-17 WO 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
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 (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-20110071115-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS PIM2, PIM1, PIM3 TYK2 39/4885JAK2 49/4885JAK1 272/4885
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.