SCHEMBL782837

SCHEMBL782837

CC(C)(C)c1ccnc2c1CCC(=O)N2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
BRAF P15056 13/20 0.37
RAF1 P04049 8/20 0.35
CTRC Q99895 1/20 0.33
CRBN Q96SW2 2/20 0.32
EGFR P00533 2/20 0.32
LCK P06239 1/20 0.32
RET P07949 1/20 0.32
EPHA2 P29317 1/20 0.32
KDR P35968 1/20 0.32
MAPK14 Q16539 1/20 0.32
DDR2 Q16832 1/20 0.32
KCNH2 Q12809 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR1A P08908 1/20 0.32
OPRK1 P41145 1/20 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
SCHEMBL14424566 0.85 GSK3B (0.36) PDE3BPDE3ABRAFCTRCRET
SCHEMBL17808729 0.79 MB (0.39) BRAFRAF1CTRCDDR2
SCHEMBL10267990 0.77 PDE3B (0.40) PDE3BPDE3ABRAFRAF1CRBN
SCHEMBL11986935 0.77 NNMT (0.37)
SCHEMBL10308677 0.76 ENPP1 (0.45) CTRCCRBN
SCHEMBL10308521 0.76 MB (0.39) BRAFRAF1CTRCEGFR
SCHEMBL783097 0.75 UHRF1 (0.41)
SCHEMBL797188 0.75 HTR2A (0.38) PDE3BPDE3ABRAFRAF1EGFR
SCHEMBL26878390 0.74 PDE3B (0.40) PDE3BPDE3ABRAFRAF1EGFR
SCHEMBL3009275 0.74 DAO (0.37) PDE3BPDE3ABRAFRAF1CRBN

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-20230322761-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-9670231-B2 Fused tricyclic amide compounds as multiple kinase inhibitors BEIGENE, LTD. (KY) 2017-06-06 US disclosed
US-9670231-B2 Fused tricyclic amide compounds as multiple kinase inhibitors BEIGENE, LTD. (KY) 2017-06-06 US disclosed
US-20160159820-A1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BEIGENE, LTD. (KY) 2016-06-09 US disclosed
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US disclosed
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US disclosed
US-8088794-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2012-01-03 US disclosed
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7858623-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7858623-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-20080312232-A1 Substituted amide derivatives and methods of use AMGEN INC. (US) 2008-12-18 US disclosed
US-20080312232-A1 Substituted amide derivatives and methods of use AMGEN INC. (US) 2008-12-18 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-20230322761-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BTK, CBL, LYN PDE3B 4413/4885PDE3A 4447/4885BRAF 761/4885
US-20080312232-A1 Substituted amide derivatives and methods of use HGF, HGFAC, MET PDE3B 1652/4885PDE3A 1554/4885BRAF 212/4885
US-20160159820-A1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BRAF, EGFR, ERBB2 PDE3B 3874/4885PDE3A 3923/4885BRAF 1/4885
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES HGF, HGFAC, MET PDE3B 1500/4885PDE3A 1526/4885BRAF 228/4885
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET PDE3B 1652/4885PDE3A 1554/4885BRAF 212/4885

“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.