SCHEMBL6465310

SCHEMBL6465310

CNc1nc(N)ncc1[C@H]1CC[C@@H](N)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 2/20 0.37
CDK9 P50750 2/20 0.37
MERTK Q12866 2/20 0.36
JAK1 P23458 2/20 0.34
TYK2 P29597 2/20 0.34
ACVR2A P27037 1/20 0.33
TGFBR1 P36897 1/20 0.33
TGFBR2 P37173 1/20 0.33
LRRK2 Q5S007 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
NUDT1 P36639 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL19690214 0.91 JAK1 (0.33) CDK7CDK9MERTKJAK1TYK2
SCHEMBL6828271 0.84 CDK7 (0.44) CDK7CDK9MERTKLRRK2
SCHEMBL30060829 0.71 ALDH1A1 (0.37) NUDT1
SCHEMBL23534278 0.71 ALDH1A1 (0.37) NUDT1
SCHEMBL30714999 0.70 DHFR (0.41)
SCHEMBL2444528 0.70 DHFR (0.41)
SCHEMBL9957217 0.70 PIK3C3 (0.51) CDK7CDK9MERTK
SCHEMBL4430428 0.69 HRH2 (0.35) HRH3
SCHEMBL16011451 0.68 NUDT1 (0.42) JAK1TYK2NUDT1
SCHEMBL12541973 0.67 DHFR (0.37)

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 2 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
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 CDK7 224/4885CDK9 917/4885MERTK 278/4885

“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.