SCHEMBL19629548

SCHEMBL19629548

CS(C)(C)CCOCn1cc(-c2c[nH]c3ccc(Br)cc23)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.43
PIM3 Q86V86 2/20 0.43
PIM2 Q9P1W9 2/20 0.43
HTR1A P08908 2/20 0.42
HTR7 P34969 2/20 0.42
HTR6 P50406 2/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
CLK1 P49759 5/20 0.38
CDK5 Q00535 4/20 0.38
CDK5R1 Q15078 4/20 0.38
SLC6A4 P31645 1/20 0.36
EGFR P00533 2/20 0.36
AXL P30530 1/20 0.35
PDK1 Q15118 2/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
PDPK1 O15530 1/20 0.35
CCNB2 O95067 1/20 0.35
CYP1A1 P04798 1/20 0.35

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
SCHEMBL19629547 0.87 PIM1 (0.46) PIM1PIM3PIM2HTR1AHTR7
SCHEMBL20193250 0.86 PIM1 (0.37) PIM1PIM3PIM2
SCHEMBL19629554 0.80 PDK1 (0.37) PIM1CDK5PDK1PRKACAGSK3B
SCHEMBL19629553 0.80 DYRK1A (0.38) HTR1AHTR7HTR6GSK3B
SCHEMBL19629559 0.78 PDE4B (0.41) GSK3B
SCHEMBL19629511 0.78 DYRK1A (0.39) GSK3BKIT
SCHEMBL19629490 0.78 DYRK1A (0.49) GSK3B
SCHEMBL19629577 0.78 CHUK (0.43) PIM1PIM3PIM2
SCHEMBL19629510 0.76 CHUK (0.36) GSK3B
SCHEMBL19629482 0.74 MAP3K14 (0.51)

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-9981962-B2 Pyrazole derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 US disclosed
US-20170334900-A1 NEW PYRAZOLE DERIVATIVES AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2017-11-23 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-20170334900-A1 NEW PYRAZOLE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K21 PIM1 669/4885PIM3 673/4885PIM2 987/4885

“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.