SCHEMBL2401136

SCHEMBL2401136

C/C(=N\c1nc(Br)cnc1N1CCN(C(=O)OC(C)(C)C)CC1)NO

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
PTPN11 Q06124 1/20 0.42
MAP4K4 O95819 1/20 0.41
KIT P10721 2/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GBA1 P04062 2/20 0.39
TLR9 Q9NR96 1/20 0.39
ACHE P22303 1/20 0.39
GPR119 Q8TDV5 3/20 0.39
ALK Q9UM73 3/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
GRIA1 P42261 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
SCHEMBL2401143 1.00 CKS1B (0.42) CKS1BSKP1SKP2PTPN11MAP4K4
SCHEMBL12269558 1.00 CKS1B (0.42) CKS1BSKP1SKP2PTPN11MAP4K4
SCHEMBL2401992 0.87 NR1H2 (0.42) CKS1BSKP1SKP2PTPN11MAP4K4
SCHEMBL2401989 0.87 NR1H2 (0.42) CKS1BSKP1SKP2PTPN11MAP4K4
SCHEMBL12269550 0.84 CKS1B (0.41) CKS1BSKP1SKP2PTPN11MAP4K4
SCHEMBL2465903 0.82 PTPN11 (0.42) CKS1BSKP1SKP2PTPN11MAP4K4
SCHEMBL12269591 0.80 CKS1B (0.41) CKS1BSKP1SKP2PTPN11MAP4K4
SCHEMBL2402337 0.80 MAP4K4 (0.52) CKS1BSKP1SKP2PTPN11MAP4K4
SCHEMBL2402237 0.79 POLB (0.48) CKS1BSKP1SKP2PTPN11MAP4K4
SCHEMBL2400302 0.78 PTPN11 (0.47) CKS1BSKP1SKP2PTPN11MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2545058-B1 TETRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS INHIBITORS OF HISTAMINE RECEPTORS KALYPSYS INC (US) 2016-08-24 EP disclosed
US-8569300-B2 Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC. (US) 2013-10-29 US disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 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-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CKS1B 3409/4885SKP1 3163/4885SKP2 2086/4885

“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.