SCHEMBL2403740

SCHEMBL2403740

CC(=Nc1nc(Br)cnc1N1CCN(C(=O)O)CC1)N(C)C

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31
AKT1 P31749 1/20 0.31
ABL1 P00519 3/20 0.31
BCR P11274 3/20 0.31
P2RY12 Q9H244 2/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
ADRB2 P07550 1/20 0.30

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
SCHEMBL2403738 1.00 KDM4E (0.31) KDM4ECKS1BSKP1SKP2AKT1
SCHEMBL2401992 0.85 NR1H2 (0.42) CKS1BSKP1SKP2
SCHEMBL2401989 0.85 NR1H2 (0.42) CKS1BSKP1SKP2
SCHEMBL2403729 0.85 HDAC3 (0.35) CKS1BSKP1SKP2AKT1ABL1
SCHEMBL2403733 0.85 HDAC3 (0.35) CKS1BSKP1SKP2AKT1ABL1
SCHEMBL2468758 0.79 P2RY12 (0.31) KDM4EP2RY12ADRB2HSD17B10
SCHEMBL2405509 0.77 NEK2 (0.39) AKT1ABL1BCR
SCHEMBL2403979 0.74 ABL1 (0.43) AKT1ABL1BCRP2RY12
SCHEMBL2466906 0.73 P2RY12 (0.33) AKT1P2RY12
SCHEMBL2317966 0.72 NEK2 (0.43) AKT1ABL1BCR

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 KDM4E 1507/4885CKS1B 3409/4885SKP1 3163/4885

“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.