SCHEMBL2404206

SCHEMBL2404206

NNc1nc(Br)cnc1N1CCN(C(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.35
BCR P11274 8/20 0.35
AKT1 P31749 1/20 0.34
P2RY12 Q9H244 1/20 0.33
PTPN11 Q06124 1/20 0.33
KIT P10721 1/20 0.32
OPRK1 P41145 1/20 0.32
ATR Q13535 1/20 0.32
TP53 P04637 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPV1 Q8NER1 2/20 0.31

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
SCHEMBL2405509 0.83 NEK2 (0.39) ABL1BCRAKT1PTPN11ATR
SCHEMBL2403979 0.80 ABL1 (0.43) ABL1BCRAKT1P2RY12TP53
SCHEMBL2317966 0.80 NEK2 (0.43) ABL1BCRAKT1PTPN11ATR
SCHEMBL14829351 0.77 OPRK1 (0.35) ABL1BCROPRK1ALDH1A1CYP3A4
SCHEMBL2320635 0.77 ROCK2 (0.37) ABL1BCRTP53ALDH1A1
SCHEMBL2401956 0.76 KDM4E (0.35) ABL1BCRP2RY12TP53MEN1
SCHEMBL2403733 0.74 HDAC3 (0.35) ABL1BCRAKT1P2RY12PTPN11
SCHEMBL2403729 0.74 HDAC3 (0.35) ABL1BCRAKT1P2RY12PTPN11
SCHEMBL2317524 0.73 JAK3 (0.41) OPRK1
SCHEMBL2320980 0.73 OPRK1 (0.40) OPRK1

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 5 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
EP-2545058-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2013-01-16 EP disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
WO-2011112766-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 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 (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 ABL1 2338/4885BCR 2477/4885AKT1 3738/4885

“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.