SCHEMBL90083

SCHEMBL90083

COCCCOc1nc(NC2CC2)ncc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.40
ADRA2A P08913 6/20 0.40
HTR2B P41595 6/20 0.40
HRH1 P35367 5/20 0.40
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
GAS6 Q14393 1/20 0.39
ADRA1A P35348 4/20 0.38
MAPK1 P28482 1/20 0.37
CCND1 P24385 3/20 0.37
CDK2 P24941 3/20 0.37
CDK1 P06493 2/20 0.37
CDK4 P11802 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HTR1A P08908 1/20 0.36
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
MAPK8 P45983 1/20 0.35
BRD4 O60885 1/20 0.35
ATAD2 Q6PL18 1/20 0.35

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
SCHEMBL6459225 0.76 CDK9 (0.49) CDK1CCNKCDK12MAPK8
SCHEMBL6459216 0.76 CDK9 (0.49) CDK1CCNKCDK12MAPK8
SCHEMBL89379 0.74 LMNA (0.40)
SCHEMBL90301 0.72 CCNK (0.41) ALDH1A1CCNKBRD4ATAD2
SCHEMBL89746 0.71 NUDT1 (0.36) ALDH1A1
SCHEMBL1911341 0.71 NUDT1 (0.58) CDK2CDK1
SCHEMBL19654337 0.71 ULK1 (0.51) MCHR1ADRA2AHTR2BHRH1TYRO3
SCHEMBL12361586 0.69 MAPK8 (0.46) TYRO3MERTKGAS6CDK2CCNK
SCHEMBL6459470 0.69 MERTK (0.46) MCHR1ADRA2AHTR2BHRH1MERTK
SCHEMBL6459459 0.69 MERTK (0.46) MCHR1ADRA2AHTR2BHRH1MERTK

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
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 MCHR1 2014/4885ADRA2A 151/4885HTR2B 1075/4885

“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.