SCHEMBL6460800

SCHEMBL6460800

CN(C)c1ccnc(NC2CCC(NC(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.45
▸ JAK1 P23458 2/20 0.45
▸ MCHR1 Q99705 13/20 0.44
▸ ADRA2A P08913 6/20 0.43
▸ HRH1 P35367 6/20 0.43
▸ HTR2B P41595 5/20 0.43
▸ ADRA1A P35348 3/20 0.43
▸ KDM1A O60341 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ BTK Q06187 2/20 0.41

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
SCHEMBL6460796 1.00 JAK2 (0.45) JAK2JAK1MCHR1ADRA2AHRH1
SCHEMBL6458263 0.85 JAK1 (0.43) JAK2JAK1KDM1AMAOBAURKB
SCHEMBL6458275 0.85 JAK1 (0.43) JAK2JAK1KDM1AMAOBAURKB
SCHEMBL6876294 0.83 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876287 0.83 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6455641 0.82 MCHR1 (0.48) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6464308 0.82 CNR1 (0.62) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6464302 0.82 CNR1 (0.62) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL16091554 0.81 KDM1A (0.50) JAK2JAK1KDM1AMAOBCKS1B
SCHEMBL6867773 0.80 ALDH1A1 (0.54) JAK2JAK1KCNH2

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
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 — — US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 — — WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 — — EP 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 JAK2 333/4885JAK1 815/4885MCHR1 2/4885

“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.

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