SCHEMBL4896875

SCHEMBL4896875

O=C1Nc2ccccc2Nc2cscc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 2/20 0.61
LRRK2 Q5S007 2/20 0.61
FER P16591 2/20 0.61
PDGFRA P16234 1/20 0.61
LTK P29376 1/20 0.61
CDK8 P49336 1/20 0.61
DYRK1B Q9Y463 1/20 0.61
CDK5 Q00535 4/20 0.49
ROS1 P08922 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
GSK3B P49841 6/20 0.46
CDK2 P24941 5/20 0.46
MAP4K4 O95819 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
CDC7 O00311 2/20 0.46
ROCK2 O75116 2/20 0.46
IRAK4 Q9NWZ3 2/20 0.46
PRKACA P17612 1/20 0.46
CHEK1 O14757 5/20 0.46
CSNK1G1 Q9HCP0 1/20 0.46

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
SCHEMBL11485594 0.84 LRRK2 (0.73) ACVR1LRRK2FERPDGFRALTK
SCHEMBL11753364 0.79 CHEK1 (0.47) ACVR1LRRK2FERPDGFRALTK
SCHEMBL11744445 0.79 LRRK2 (0.40) ACVR1LRRK2FERPDGFRALTK
SCHEMBL11751390 0.79 CSNK1G1 (0.62) ACVR1LRRK2FERPDGFRALTK
SCHEMBL11634099 0.79 CHEK1 (0.62) ACVR1LRRK2FERPDGFRALTK
SCHEMBL11529475 0.79 CHEK1 (0.62) ACVR1LRRK2FERPDGFRALTK
SCHEMBL11535564 0.79 LRRK2 (0.40) ACVR1LRRK2FERPDGFRALTK
SCHEMBL11557784 0.79 CHEK1 (0.47) ACVR1LRRK2FERPDGFRALTK
SCHEMBL11748758 0.79 CHEK1 (0.47) ACVR1LRRK2FERPDGFRALTK
SCHEMBL11745945 0.78 CHEK1 (0.45) ACVR1LRRK2FERPDGFRALTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5001122-A Use of diazepinones for treating disorders of the microcirculation DR. KARL THOMAE GMBH (DE) 1991-03-19 US claimed
US-20080275023-A1 N-Hydroxyamides Omege-Substituted with Tricyclic Groups as Histone Deacetylase Inhibitors, Their Preparation and Use in Pharmaceutical Formulations MENARIN INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2008-11-06 US disclosed
EP-1863776-A1 N-HYDROXYAMIDES OMEGA-SUBSTITUTED WITH TRICYCLIC GROUPS AS HISTONE DEACETYLASE INHIBITORS, THEIR PREPARATION AND USE IN PHARMACEUTICAL FORMULATIONS Menarini International Operations Luxembourg S.A. (LU) 2007-12-12 EP disclosed
WO-2006097449-A1 N-HYDROXYAMIDES OMEGA-SUBSTITUTED WITH TRICYCLIC GROUPS AS HISTONE DEACETYLASE INHIBITORS, THEIR PREPARATION AND USE IN PHARMACEUTICAL FORMULATIONS MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2006-09-21 WO disclosed
US-20040063694-A1 Compound useful for the treatment of CNS disorders BROWDER MONTE R (US) 2004-04-01 US disclosed
WO-1996022282-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
US-5001122-A Use of diazepinones for treating disorders of the microcirculation DR. KARL THOMAE GMBH (DE) 1991-03-19 US disclosed
EP-0342474-A2 Use of diazepinones for the preparation of a medicament for therapy of microcirculatory disorders Dr. Karl Thomae GmbH (DE) 1989-11-23 EP disclosed
EP-0309422-A2 New amidino tricycle derivatives ISTITUTO DE ANGELI S.p.A. (IT) 1989-03-29 EP disclosed
EP-0039519-B1 SUBSTITUTED THIENOTRICYCLES, PROCESS FOR THEIR PREPARATION AND THERAPEUTICAL AGENTS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1984-05-02 EP disclosed
US-4242518-A Thiophene compounds and their manufacture BASF AKTIENGESELLSCHAFT (DE) 1980-12-30 US disclosed
US-4239897-A Thiophene compounds and their manufacture BASF AKTIENGESELLSCHAFT (DE) 1980-12-16 US disclosed
US-4172831-A CENTRAL NERVOUS SYSTEM LILLY INDUSTRIES LIMITED (GB) 1979-10-30 US disclosed
US-4168269-A ANALGESICS AMERICAN CYANAMID COMPANY (US) 1979-09-18 US disclosed
US-4115568-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed
US-4115574-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed
US-4087421-A NEUROLEPTIC, ANTI-DEPRESSANT AND ANALGESTIC ACTIVITY AMERICAN CYANAMID COMPANY (US) 1978-05-02 US disclosed
US-4007272-A Substituted benzodiazepin-10-ones in treating pain and depression AMERICAN CYANAMID COMPANY (US) 1977-02-08 US disclosed
US-3953430-A ANTIDEPRESSANTS, ANALGESICS AMERICAN CYANAMID COMPANY (US) 1976-04-27 US disclosed
US-3951981-A NEUROLEPTIC, ANALGESIC AMERICAN CYANAMID COMPANY (US) 1976-04-20 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 (2 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-20040063694-A1 Compound useful for the treatment of CNS disorders HMGCR, GRIN2C, CYP11B2 ACVR1 3593/4885LRRK2 305/4885FER 2398/4885
US-20080275023-A1 N-Hydroxyamides Omege-Substituted with Tricyclic Groups as Histone Deacetylase Inhibitors, Their Preparation and Use in Pharmaceutical Formulations HDAC8, HDAC2, HDAC7 ACVR1 4567/4885LRRK2 4734/4885FER 4206/4885

“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.