SCHEMBL90301

SCHEMBL90301

COCCCOc1cc(NC2CC2)ncc1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNK O75909 10/20 0.41
CDK9 P50750 10/20 0.41
PDGFRB P09619 4/20 0.38
PDGFRA P16234 4/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
EGFR P00533 1/20 0.38
INSR P06213 1/20 0.38
LCK P06239 1/20 0.38
SYK P43405 1/20 0.36
PDE10A Q9Y233 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL89338 0.84 REN (0.38) CCNKCDK9PDGFRBPDGFRAEGFR
SCHEMBL90302 0.83 PDGFRB (0.38) CCNKCDK9PDGFRBPDGFRACYP11B1
SCHEMBL89349 0.81 CCNK (0.38) CCNKCDK9PDGFRBPDGFRAEGFR
SCHEMBL90675 0.79 KMT2A (0.40) CCNKCDK9PDGFRBPDGFRAEGFR
SCHEMBL90434 0.76 ROCK2 (0.38) KDM4EALDH1A1BRD4ATAD2
SCHEMBL89869 0.75 BRD4 (0.33) EGFRKDM4EALDH1A1BRD4ATAD2
SCHEMBL7864023 0.75 ABL1 (0.37) PDGFRBPDGFRAALDH1A1
SCHEMBL90167 0.74 SLC6A4 (0.38) KDM4EALDH1A1L3MBTL1
SCHEMBL90083 0.72 MCHR1 (0.40) CCNKALDH1A1BRD4ATAD2
SCHEMBL2085628 0.69 MEN1 (0.43) KDM4EALDH1A1

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 CCNK 3644/4885CDK9 1800/4885PDGFRB 452/4885

“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.