SCHEMBL3483095

SCHEMBL3483095

CC(C)(C)c1cccc(Nc2ccn3ncc(C=C4SC(=O)NC4=O)c3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.43
ADAMTS5 Q9UNA0 1/20 0.41
JAK3 P52333 3/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
PIM1 P11309 3/20 0.39
PIM2 Q9P1W9 3/20 0.39
TTR P02766 3/20 0.39
CISD1 Q9NZ45 1/20 0.39
PARP1 P09874 1/20 0.38
HDAC4 P56524 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
AKR1B1 P15121 1/20 0.37
KMT2A Q03164 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL12978963 1.00 NR1H4 (0.43) NR1H4ADAMTS5JAK3JAK2JAK1
SCHEMBL3483094 1.00 NR1H4 (0.43) NR1H4ADAMTS5JAK3JAK2JAK1
SCHEMBL12978877 0.86 PIM1 (0.49) NR1H4ADAMTS5PIM1PIM2TTR
SCHEMBL861502 0.86 PIM1 (0.49) NR1H4ADAMTS5PIM1PIM2TTR
SCHEMBL861503 0.86 PIM1 (0.49) NR1H4ADAMTS5PIM1PIM2TTR
SCHEMBL14679087 0.86 TYK2 (0.40) JAK3JAK2JAK1TYK2PIM1
SCHEMBL12978962 0.84 TYK2 (0.41) JAK3JAK2JAK1TYK2PIM1
SCHEMBL860677 0.84 TYK2 (0.41) JAK3JAK2JAK1TYK2PIM1
SCHEMBL860678 0.84 TYK2 (0.41) JAK3JAK2JAK1TYK2PIM1
SCHEMBL14679086 0.82 TYK2 (0.40) JAK3JAK2JAK1TYK2PIM1

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 2 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-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 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 (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 NR1H4 4005/4885ADAMTS5 4429/4885JAK3 128/4885

“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.