SCHEMBL856993

SCHEMBL856993

Fc1ccc2ncc[c]c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
SHMT2 P34897 1/20 0.34
MAPT P10636 3/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
BACE1 P56817 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PARP1 P09874 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
FERMT2 Q96AC1 1/20 0.32
METAP2 P50579 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
SCHEMBL855089 0.84 FERMT2 (0.35) CCNCCDK8SHMT2MAPTKMT2A
SCHEMBL944985 0.76 HTT (0.41) CCNCCDK8BACE1CCNB2CDK1
SCHEMBL1451142 0.76 ALDH1A1 (0.41) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL4467255 0.76 ALDH1A1 (0.46) KMT2AKDM4EBACE1MEN1ALDH1A1
SCHEMBL4455873 0.76 NR4A2 (0.43) CCNCCDK8MAPTKMT2APARP1
SCHEMBL2472075 0.76 DYRK1A (0.39) CCNCCDK8KDM4EBACE1PARP1
SCHEMBL28141339 0.72 NPC1 (0.41) KMT2AMEN1CBFB
SCHEMBL590041 0.72 LMNA (0.43) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL5749391 0.72 CDK5 (0.37) CCNCCDK8ALDH1A1CCNB2CDK1
SCHEMBL5748480 0.72 ALDH1A1 (0.34) MAPTKMT2AKDM4EMEN1ALDH1A1

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 113 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114105960-A Oxaadamantane derivatives capable of inhibiting activity of indoleamine 2, 3-dioxygenase 齐鲁制药有限公司 2022-03-01 CN claimed
CN-113045488-A Indoleamine 2, 3-dioxygenase inhibitors 齐鲁制药有限公司 2021-06-29 CN claimed
WO-2019078968-A2 CYCLIC COMPOUNDS AS IMMUNOMODULATING AGENTS ANGEX PHARMACEUTICAL, INC. (US) 2019-04-25 WO claimed
EP-2373641-B1 PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-12-19 EP claimed
US-8178538-B2 Pyridazinones HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US claimed
EP-2373641-A1 PYRIDAZINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-10-12 EP claimed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US claimed
WO-2010063610-A1 PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO claimed
EP-3682873-B1 SMAC MIMETICS FOR USE IN THE TREATMENT OF PERSISTENT HIV INFECTION WALTER & ELIZA HALL INST MEDICAL RES (AU) 2024-06-12 EP disclosed
US-11702401-B2 Compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2023-07-18 US disclosed
US-20220227762-A1 AMIDE-SUBSTITUTED IMIDAZO COMPOUNDS AS SELECTIVE INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASES BEONE MEDICINES I GMBH (CH) 2022-07-21 US disclosed
CN-114105960-A Oxaadamantane derivatives capable of inhibiting activity of indoleamine 2, 3-dioxygenase 齐鲁制药有限公司 2022-03-01 CN disclosed
US-20220000847-A1 Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC (US) 2022-01-06 US disclosed
CN-113891880-A Amide substituted imidazo compounds as selective inhibitors of indoleamine 2, 3-dioxygenase 百济神州有限公司 2022-01-04 CN disclosed
WO-2004024721-A1 HYDANTOIN DERIVATIVES UND DEREN VERWENDUNG ALS TACE INHIBITOREN ASTRAZENECA AB (SE) 2004-03-25 WO disclosed
WO-2004024698-A1 1-SULPHONYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2004-03-25 WO disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 EP disclosed
WO-2004006926-A1 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ARYL OR HETEROARYL GROUP FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2004-01-22 WO disclosed
WO-2003011868-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2003-02-13 WO disclosed
WO-2003008422-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-01-30 WO 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-20220000847-A1 Compounds and Methods of Use TGFB2, TGFB1, HDGF CCNC 712/4885CDK8 610/4885SHMT2 674/4885
US-11702401-B2 Compounds and methods of use TGFB2, TGFB1, HDGF CCNC 712/4885CDK8 610/4885SHMT2 674/4885
US-20100152193-A1 PYRIDAZINONES PDE5A, PDE3A, PDE10A CCNC 3799/4885CDK8 2342/4885SHMT2 2075/4885
US-20220227762-A1 AMIDE-SUBSTITUTED IMIDAZO COMPOUNDS AS SELECTIVE INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASES IDO1, IDO2, AADAC CCNC 3697/4885CDK8 63/4885SHMT2 422/4885

“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.