SCHEMBL6456879

SCHEMBL6456879

CN(C)c1nc(Cl)ncc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
LRRK2 Q5S007 1/20 0.41
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 2/20 0.37
MITF O75030 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
HPGD P15428 3/20 0.37

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
SCHEMBL14635517 0.82 MAP4K4 (0.43) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL5802743 0.79 ADORA1 (0.51) LRRK2KMT2ALMNAADORA2AADORA1
SCHEMBL8295383 0.78 CYP2A6 (0.40) CYP3A4CYP2C9CYP2A6POLBNPC1
SCHEMBL7540777 0.77 CYP1A2 (0.46) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL3626896 0.76 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL2836957 0.74 KDM4E (0.53) ALDH1A1KDM4ESMN1; SMN2LMNAGLA
SCHEMBL11307546 0.72 ALDH1A1 (0.47) CKS1BSKP1SKP2ALDH1A1KDM4E
SCHEMBL19347664 0.71 ADORA1 (0.54) ALDH1A1KDM4ESMN1; SMN2LMNAGLA
Hydrochloric Acid SCHEMBL12813473 0.71 DHFR (0.50) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6465219 0.71 GLP1R (0.34) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101475528-A Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO LTD (JP) 2009-07-08 CN disclosed
CN-100451004-C Pyrimidine derivatives ARENA PHARM INC (JP) 2009-01-14 CN disclosed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN disclosed
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 CKS1B 3009/4885SKP1 2057/4885SKP2 339/4885

“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.