SCHEMBL1606641

SCHEMBL1606641

Cn1ccc2ccccc21.OBO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.48
CCND1 P24385 4/20 0.48
NOTUM Q6P988 1/20 0.47
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PRKCI P41743 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
NQO2 P16083 1/20 0.42
MAPK1 P28482 1/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
BRD4 O60885 1/20 0.41
BRPF1 P55201 1/20 0.41
KAT2B Q92831 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL29384135 0.91 CDK4 (0.56) CDK4CCND1NOTUMALDH1A1MAPT
SCHEMBL29812 0.91 CDK4 (0.56) CDK4CCND1NOTUMALDH1A1MAPT
Hydrochloric Acid SCHEMBL1356443 0.89 CDK4 (0.54) CDK4CCND1NOTUMALDH1A1MAPT
Bromide SCHEMBL31591097 0.89 CDK4 (0.54) CDK4CCND1NOTUMALDH1A1MAPT
Hydrochloric Acid SCHEMBL30610362 0.89 CDK4 (0.54) CDK4CCND1NOTUMALDH1A1MAPT
Bromide SCHEMBL6480413 0.89 CDK4 (0.54) CDK4CCND1NOTUMALDH1A1MAPT
Alcohol SCHEMBL11381959 0.85 CDK4 (0.52) CDK4CCND1NOTUMALDH1A1MAPT
Isopropyl Alcohol SCHEMBL11372731 0.85 CDK4 (0.47) CDK4CCND1NOTUMALDH1A1MAPT
Dimethylamine SCHEMBL3332471 0.84 CDK4 (0.50) CDK4CCND1NOTUMALDH1A1MAPT
SCHEMBL3867839 0.83 NOTUM (0.48) CDK4CCND1NOTUMALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP 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-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-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-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 CDK4 2131/4885CCND1 2664/4885NOTUM 304/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CDK4 2131/4885CCND1 2664/4885NOTUM 304/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CDK4 1529/4885CCND1 2159/4885NOTUM 347/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CDK4 1529/4885CCND1 2159/4885NOTUM 347/4885

“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.