SCHEMBL1605850

SCHEMBL1605850

COC=Cc1cncc(-c2cc3ccccc3n2C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
CHRNB1 P11230 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNB3 Q05901 1/20 0.48
CYP11B2 P19099 2/20 0.41
APP P05067 4/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
ADRA2A P08913 1/20 0.38
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 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
SCHEMBL1605849 1.00 KMT2A (0.49) KMT2ACHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL7940276 0.84 CHRNB1 (0.48) KMT2ACHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1605519 0.82 KMT2A (0.54) KMT2ACHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1605789 0.78 CHRNB1 (0.58) KMT2ACHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1605168 0.74 KMT2A (0.58) KMT2ACHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1606762 0.74 KMT2A (0.58) KMT2ACHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL16196639 0.74 KMT2A (0.58) KMT2ACHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1605979 0.74 KMT2A (0.58) KMT2ACHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1605248 0.74 KMT2A (0.58) KMT2ACHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1606261 0.72 CHRNB1 (0.51) KMT2ACHRNB1CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104193725-B Organic compound 诺华股份有限公司 2016-11-16 CN disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 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 (4 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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 KMT2A 4447/4885CHRNB1 2629/4885CHRNB2 3544/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 KMT2A 4447/4885CHRNB1 2629/4885CHRNB2 3544/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 KMT2A 4274/4885CHRNB1 3239/4885CHRNB2 3915/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 KMT2A 4274/4885CHRNB1 3239/4885CHRNB2 3915/4885

“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.