SCHEMBL297092

SCHEMBL297092

[c]1nc(-c2ncc3ccccc3n2)c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.50
KDM4E B2RXH2 2/20 0.42
GPR3 P46089 1/20 0.42
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
ROCK1 Q13464 1/20 0.33
HTR3A P46098 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
ADORA2A P29274 2/20 0.32
ALDH1A1 P00352 2/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL4502048 0.81 CYP1A2 (0.57) CYP1A2KDM4EGPR3MAPTNPC1
SCHEMBL13372873 0.78 ADORA2A (0.36) CYP1A2KDM4EGPR3MAPTLMNA
SCHEMBL14099190 0.75 CYP1A2 (0.53) CYP1A2KDM4EGPR3MAPTNPC1
SCHEMBL30198446 0.74 CYP1A2 (0.60) CYP1A2KDM4EGPR3MAPTNPC1
SCHEMBL1672650 0.74 CYP1A2 (0.60) CYP1A2KDM4EGPR3MAPTNPC1
SCHEMBL30527184 0.74 CYP1A2 (0.60) CYP1A2KDM4EGPR3MAPTNPC1
SCHEMBL14941820 0.73 RAB9A (0.43) CYP1A2KDM4EMAPTNPC1LMNA
SCHEMBL28424348 0.73 CYP1A2 (0.61) CYP1A2KDM4EGPR3MAPTNPC1
SCHEMBL13649235 0.73 CYP1A2 (0.61) CYP1A2KDM4EGPR3MAPTNPC1
SCHEMBL4510544 0.72 ADORA3 (0.45) CYP1A2KDM4EGPR3MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714244-B2 Substituted pyrido[4,3-d]pyrimidines as Wee-1 inhibitors ALMAC DISCOVERY LIMITED (GB) 2017-07-25 US disclosed
US-9434698-B2 Process for preparing antiviral compounds ABBVIE INC. (US) 2016-09-06 US disclosed
US-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same ABBVIE INC. (US) 2016-06-09 US disclosed
US-9345702-B2 Methods of treatment using selective Bcl-2 inhibitors ABBVIE INC. (US) 2016-05-24 US disclosed
US-20160106849-A1 FORMULATIONS OF PHENYL URACIL COMPOUNDS ABBVIE INC. 2016-04-21 US disclosed
US-20160060258-A1 2-AMINOPYRIDO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND THEIR USE AS WEE-1 INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2016-03-03 US disclosed
US-9095590-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2015-08-04 US disclosed
US-20150191437-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBVIE INC. (US) 2015-07-09 US disclosed
US-20150150870-A1 METHODS OF TREATMENT USING SELECTIVE BCL-2 INHIBITORS ABBVIE INC. 2015-06-04 US disclosed
US-8889675-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2014-11-18 US disclosed
US-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS IMTM GMBH (DE) 2012-02-02 US disclosed
US-20110117069-A1 METHOD FOR ACTIVATING REGULATORY T-CELLS IMTM GMBH (DE) 2011-05-19 US disclosed
WO-2011051950-A1 9-AMINOACRIDINE DERIVATIVES, THEIR PREPARATION AND USES ARIEL-UNIVERSITY RESEARCH AND DEVELOPMENT COMPANY LTD (IL) 2011-05-05 WO disclosed
EP-2292589-A1 Novel multifunctional peptidase inhibitors, especially for medical use IMTM GmbH (DE) 2011-03-09 EP disclosed
EP-2178527-A1 METHOD FOR ACTIVATING REGULATORY T-CELLS IMTM GmbH (DE) 2010-04-28 EP disclosed
US-20090124667-A1 Novel Dual-Use Peptidase Inhibitors as Prodrugs for a Therapy of Inflammatory and Other Diseases IMTM GMBH (DE) 2009-05-14 US disclosed
WO-2009024348-A1 METHOD FOR ACTIVATING REGULATORY T-CELLS IMTM GMBH (DE) 2009-02-26 WO disclosed
EP-1948627-A1 NOVEL DUAL PEPTIDASE INHIBITORS AS PRODRUGS FOR THE THERAPY OF INFLAMMATORY AND OTHER DISORDERS IMTM GmbH (DE) 2008-07-30 EP disclosed
WO-2007057128-A1 NOVEL DUAL PEPTIDASE INHIBITORS AS PRODRUGS FOR THE THERAPY OF INFLAMMATORY AND OTHER DISORDERS IMTM GMBH (DE) 2007-05-24 WO disclosed
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 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 (9 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-20160060258-A1 2-AMINOPYRIDO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND THEIR USE AS WEE-1 INHIBITORS WEE1, WEE2, NME1 CYP1A2 3059/4885KDM4E 420/4885GPR3 2861/4885
US-20110117069-A1 METHOD FOR ACTIVATING REGULATORY T-CELLS ANPEP, DNPEP, RNPEP CYP1A2 2329/4885KDM4E 2238/4885GPR3 2737/4885
US-20160106849-A1 FORMULATIONS OF PHENYL URACIL COMPOUNDS UNG, UMPS, TYMP CYP1A2 1091/4885KDM4E 1166/4885GPR3 4306/4885
US-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS SERPINB1, CMA1, CPA3 CYP1A2 1119/4885KDM4E 3001/4885GPR3 2072/4885
US-20150150870-A1 METHODS OF TREATMENT USING SELECTIVE BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L10 CYP1A2 4286/4885KDM4E 2326/4885GPR3 4262/4885
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases DNPEP, PREP, ANPEP CYP1A2 1126/4885KDM4E 3461/4885GPR3 3026/4885
US-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same BCL2, BCL2L10, BAX CYP1A2 4635/4885KDM4E 1090/4885GPR3 3749/4885
US-20090124667-A1 Novel Dual-Use Peptidase Inhibitors as Prodrugs for a Therapy of Inflammatory and Other Diseases CTSL, DAO, PEPD CYP1A2 285/4885KDM4E 2890/4885GPR3 1684/4885
US-20150191437-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS HAVCR2, RNASE1, MAVS CYP1A2 673/4885KDM4E 3729/4885GPR3 4852/4885

“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.