SCHEMBL1920170

SCHEMBL1920170

O=C1NCc2cnc3ccccc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
PDPK1 O15530 1/20 0.40
PARP1 P09874 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GPR3 P46089 1/20 0.39
MAP3K9 P80192 2/20 0.38
MAP3K11 Q16584 2/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
GLI1 P08151 1/20 0.38
GLI2 P10070 1/20 0.38
PRKCA P17252 1/20 0.38
CTRB1 P17538 1/20 0.38

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
SCHEMBL25757649 0.80 MAPT (0.48) CA12CA9KDM4EAURKAKDR
SCHEMBL12406712 0.75 KDM4E (0.44) CA12CA9PDPK1PARP1ALOX15
SCHEMBL8585832 0.73 GRM2 (0.47) CA12CA9CDK4CCND1PDPK1
Phenanthridine SCHEMBL28057333 0.73 CA12 (0.58) CA12CA9PDPK1PARP1SMN1; SMN2
SCHEMBL30301327 0.72 KDM4E (0.46) CA12CA9CDK4CCND1PDPK1
SCHEMBL16352244 0.71 MAOA (0.52) SMN1; SMN2KDM4EGPR3
SCHEMBL31069613 0.70 AURKA (0.47) CA12CA9CDK4CCND1PARP1
SCHEMBL14169500 0.70 PDPK1 (0.45) PDPK1ALOX15SMN1; SMN2KDM4EKDR
SCHEMBL30433945 0.69 CDK4 (0.51) CA12CA9CDK4CCND1PDPK1
SCHEMBL5316728 0.69 CDK4 (0.51) CA12CA9CDK4CCND1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326645-B9 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT ACRAF (IT) 2013-04-17 EP disclosed
EP-2326645-B1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT ACRAF (IT) 2012-11-07 EP disclosed
US-20110160201-A1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT AZIENDE CHIMI. RIUN. ANG. FRANC. A.C.R.A.F. S.p.A. (IT) 2011-06-30 US disclosed
EP-2326645-A1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT Aziende Chimiche Riunite Angelini Francesco A.C.R.A.F. S.p.A. (IT) 2011-06-01 EP disclosed
WO-2010012611-A1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2010-02-04 WO disclosed
EP-1018512-B1 Novel basic derivatives of benz(e)isoindol-1-ones and pyrrolo(3,4-c)quinolin-1-ones with 5-HT3-antagonistic activity, their preparation and their therapeutic use ROTTA RESEARCH LAB (IT) 2004-06-16 EP disclosed
EP-1018512-B1 Novel basic derivatives of benz(e)isoindol-1-ones and pyrrolo(3,4-c)quinolin-1-ones with 5-HT3-antagonistic activity, their preparation and their therapeutic use ROTTA RESEARCH LAB (IT) 2004-06-16 EP disclosed
US-6413978-B1 THERAPY FOR CENTRAL NERVOUS SYSTEM DISORDERS ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 2002-07-02 US disclosed
US-6413978-B1 THERAPY FOR CENTRAL NERVOUS SYSTEM DISORDERS ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 2002-07-02 US disclosed
US-6413978-B1 THERAPY FOR CENTRAL NERVOUS SYSTEM DISORDERS ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 2002-07-02 US disclosed
US-20020042426-A1 Novel basic derivatives of benz[e] isoindol-1-ones and pyrrolo[3,4-c] quinolin-1ones with 5-HT3-antagonistic activity, their preparation and their therapeutic use ROTTA RESEARCH LABORATORIUM S.P.A. 2002-04-11 US disclosed
US-20020042426-A1 Novel basic derivatives of benz[e] isoindol-1-ones and pyrrolo[3,4-c] quinolin-1ones with 5-HT3-antagonistic activity, their preparation and their therapeutic use ROTTA RESEARCH LABORATORIUM S.P.A. 2002-04-11 US disclosed
US-6323216-B1 SELECTIVE ANTAGONISTS OF THE 5-HT.SUB.3 SEROTONIN-LIKE RECEPTOR AND CAN THEREFORE BE USED, AS ANTI-EMETICS AS WELL AS IN VARIOUS PATHOLOGICAL CONDITIONS OF THE CENTRAL NERVOUS SYSTEM, AND AS ANTITUSSIVES. ROTTA RESEARCH LABORATORIUM S.P.A (IT) 2001-11-27 US disclosed
US-6323216-B1 SELECTIVE ANTAGONISTS OF THE 5-HT.SUB.3 SEROTONIN-LIKE RECEPTOR AND CAN THEREFORE BE USED, AS ANTI-EMETICS AS WELL AS IN VARIOUS PATHOLOGICAL CONDITIONS OF THE CENTRAL NERVOUS SYSTEM, AND AS ANTITUSSIVES. ROTTA RESEARCH LABORATORIUM S.P.A (IT) 2001-11-27 US disclosed
US-6323216-B1 SELECTIVE ANTAGONISTS OF THE 5-HT.SUB.3 SEROTONIN-LIKE RECEPTOR AND CAN THEREFORE BE USED, AS ANTI-EMETICS AS WELL AS IN VARIOUS PATHOLOGICAL CONDITIONS OF THE CENTRAL NERVOUS SYSTEM, AND AS ANTITUSSIVES. ROTTA RESEARCH LABORATORIUM S.P.A (IT) 2001-11-27 US disclosed
EP-1018512-A1 Novel basic derivatives of benz(e)isoindol-1-ones and pyrrolo(3,4-c)quinolin-1-ones with 5-HT3-antagonistic activity, their preparation and their therapeutic use ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 2000-07-12 EP disclosed
EP-1018512-A1 Novel basic derivatives of benz(e)isoindol-1-ones and pyrrolo(3,4-c)quinolin-1-ones with 5-HT3-antagonistic activity, their preparation and their therapeutic use ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 2000-07-12 EP disclosed
EP-1018512-A1 Novel basic derivatives of benz(e)isoindol-1-ones and pyrrolo(3,4-c)quinolin-1-ones with 5-HT3-antagonistic activity, their preparation and their therapeutic use ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 2000-07-12 EP 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-20110160201-A1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT TPH1, TPH2, HTR1A CA12 4224/4885CA9 3971/4885CDK4 2476/4885
US-20020042426-A1 Novel basic derivatives of benz[e] isoindol-1-ones and pyrrolo[3,4-c] quinolin-1ones with 5-HT3-antagonistic activity, their preparation and their therapeutic use HTR3C, HTR3A, TPH1 CA12 4878/4885CA9 4836/4885CDK4 2548/4885

“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.