SCHEMBL16746142

SCHEMBL16746142

CC(C)c1ccc2nccnc2c1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CCNB2 O95067 2/20 0.35
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
CDK5 Q00535 2/20 0.35
CDK5R1 Q15078 2/20 0.35
CCNB3 Q8WWL7 2/20 0.35
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
ADRA2A P08913 4/20 0.33
ADRA2C P18825 4/20 0.33
P4HB P07237 1/20 0.32
ADRA2B P18089 3/20 0.32
ADRA1D P25100 3/20 0.32

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
SCHEMBL22792454 0.80 ADRA2A (0.42) MEN1KMT2ACCNB2CDK1CCNB1
SCHEMBL14506262 0.77 KDM4E (0.41) MEN1KMT2AKDM4EUSP2ALDH1A1
SCHEMBL16746134 0.76
SCHEMBL16746132 0.76
SCHEMBL12032781 0.75 SLC40A1 (0.37) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL30335572 0.75 MAPT (0.50) MEN1KMT2AKDM4EUSP2ALDH1A1
SCHEMBL29463681 0.75 MAPT (0.50) MEN1KMT2AKDM4EUSP2ALDH1A1
SCHEMBL87693 0.75 MAPT (0.50) MEN1KMT2AKDM4EUSP2ALDH1A1
SCHEMBL12338365 0.73 MAPT (0.48) MEN1KMT2AKDM4EUSP2ALDH1A1
SCHEMBL15423518 0.73 MAPT (0.54) MEN1KMT2AKDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944633-B2 Compounds and methods for the treatment of isocitrate dehydrogenase related diseases THE BROAD INSTITUTE, INC. (US) 2018-04-17 US disclosed
US-9918990-B2 Substituted pyrrolo[2,3-c]pyridines and pyrazolo[3,4-c]pyridines as BET protein inhibitors INCYTE CORPORATION (US) 2018-03-20 US disclosed
US-20180009754-A1 ANTHELMINTIC COMPOUNDS, COMPOSITIONS AND METHOD OF USING THEREOF MERIAL, INC. (US) 2018-01-11 US disclosed
US-20170014418-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2017-01-19 US disclosed
US-9399640-B2 Substituted pyrrolo[2,3-c]pyridines and pyrazolo[3,4-c]pyridines as BET protein inhibitors INCYTE CORPORATION (US) 2016-07-26 US disclosed
US-20160102087-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF ISOCITRATE DEHYDROGENASE RELATED DISEASES PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-04-14 US disclosed
US-9120810-B2 Compounds and methods for the treatment of isocitrate dehydrogenase related diseases THE BOARD INSTITUTE, INC. (US) 2015-09-01 US disclosed
US-20150148372-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 US disclosed
US-20150148342-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 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 (5 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-20160102087-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF ISOCITRATE DEHYDROGENASE RELATED DISEASES IDH1, IDH2, IDH3A MEN1 781/4885KMT2A 1147/4885CCNB2 2562/4885
US-20150148372-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 MEN1 2146/4885KMT2A 627/4885CCNB2 606/4885
US-20170014418-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 MEN1 2146/4885KMT2A 627/4885CCNB2 606/4885
US-20180009754-A1 ANTHELMINTIC COMPOUNDS, COMPOSITIONS AND METHOD OF USING THEREOF CYP8B1, CYP2C8, CYP2B6 MEN1 4477/4885KMT2A 1365/4885CCNB2 3072/4885
US-20150148342-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 MEN1 2146/4885KMT2A 627/4885CCNB2 606/4885

“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.