SCHEMBL89390

SCHEMBL89390

COCCCOc1cc(NC2CC2)ccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.38
AR P10275 5/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CSNK2A2 P19784 1/20 0.35
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
DNMT1 P26358 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
IMPDH2 P12268 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL90434 0.84 ROCK2 (0.38) KDM4EALDH1A1HPGD
SCHEMBL89853 0.80 CYP2C9 (0.39) ALDH1A1HPGDNPC1RAB9A
SCHEMBL8236634 0.80 ALDH1A1 (0.34) IRAK4KDM4EALDH1A1HPGD
SCHEMBL12526702 0.78 AR (0.38) ARKDM4EIKBKETBK1
SCHEMBL89959 0.77 ULK1 (0.44) AR
SCHEMBL89459 0.76 LMNA (0.40) KDM4EALDH1A1
SCHEMBL88797 0.75 AR (0.45) ARKDM4EALDH1A1HPGDNPC1
SCHEMBL89415 0.74 EGFR (0.41) ARKDM4EALDH1A1HPGDNPC1
SCHEMBL25039605 0.73 HTT (0.39) KDM4EALDH1A1
SCHEMBL8265618 0.73 L3MBTL1 (0.42) KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
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
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US 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 (3 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 IRAK4 1627/4885AR 1411/4885KDM4E 1650/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC IRAK4 1690/4885AR 2440/4885KDM4E 1140/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO IRAK4 1423/4885AR 3040/4885KDM4E 2265/4885

“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.