SCHEMBL4994102

SCHEMBL4994102

Clc1cncc(N2CCN(c3ccccc3)CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.58
KDM4E B2RXH2 4/20 0.58
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
MEN1 O00255 2/20 0.58
HSD17B10 Q99714 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
HTR1A P08908 1/20 0.58
CYP2C9 P11712 1/20 0.58
HTR2C P28335 1/20 0.58
CYP2C19 P33261 1/20 0.58
MAPT P10636 8/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
GAA P10253 2/20 0.55
NFKB1 P19838 1/20 0.55
HTT P42858 1/20 0.55
NFKB2 Q00653 1/20 0.55

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
SCHEMBL5000507 0.87 HTR2A (0.58) HTR2AKDM4EKMT2AALDH1A1HPGD
SCHEMBL15800711 0.81 NPC1 (0.62) HTR2AKDM4EKMT2AALDH1A1HPGD
SCHEMBL4994751 0.81 KDM4E (0.55) HTR2AKDM4EKMT2AALDH1A1HPGD
SCHEMBL3023133 0.80 MAPT (0.58) HTR2AKDM4EKMT2AALDH1A1HPGD
SCHEMBL4993281 0.79 MAPT (0.54) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL939716 0.78 ALDH1A1 (0.70) HTR2AKDM4EKMT2AALDH1A1HPGD
SCHEMBL31646830 0.78 CYP2D6 (0.54) HTR2AKDM4EKMT2AALDH1A1HPGD
SCHEMBL11555754 0.78 CKS1B (0.60) HTR2AKDM4EKMT2AALDH1A1HPGD
SCHEMBL3056725 0.77 KDM4E (0.64) HTR2AKDM4EKMT2AALDH1A1HPGD
SCHEMBL3089415 0.77 KMT2A (0.64) HTR2AKDM4EKMT2AALDH1A1HPGD

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
WO-2004004730-A2 2-AMINOPYRAZINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 WO claimed
US-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US disclosed
WO-2004004730-A2 2-AMINOPYRAZINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C HTR2A 1695/4885KDM4E 3445/4885KMT2A 4601/4885

“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.