SCHEMBL2403979

SCHEMBL2403979

O=C(O)N1CCN(c2ncc(Br)nc2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 9/20 0.43
BCR P11274 9/20 0.43
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
P2RY12 Q9H244 1/20 0.36
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AKT1 P31749 2/20 0.35
TP53 P04637 3/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34

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 0.85 NEK2 (0.39) ABL1BCRMEN1KMT2AALDH1A1
SCHEMBL2317966 0.82 NEK2 (0.43) ABL1BCRAKT1
SCHEMBL2402237 0.82 POLB (0.48) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL2320635 0.81 ROCK2 (0.37) ABL1BCRALDH1A1MAPTTP53
SCHEMBL2404206 0.80 ABL1 (0.35) ABL1BCRMEN1KMT2AALDH1A1
SCHEMBL2401956 0.80 KDM4E (0.35) ABL1BCRMEN1KMT2AALDH1A1
SCHEMBL19212256 0.78 KMT2A (0.46) ABL1BCRMEN1KMT2AALDH1A1
SCHEMBL27927936 0.78 ABL1 (0.44) ABL1BCRMEN1KMT2AALDH1A1
SCHEMBL4310852 0.76 CHRNB2 (0.50) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL14828999 0.76 ABL1 (0.39) ABL1BCRMEN1KMT2AALDH1A1

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 2477/4885MEN1 1013/4885

“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.