SCHEMBL3674088

SCHEMBL3674088

COc1nc(C)nc(OC)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
DYRK1A Q13627 3/20 0.34
PIM1 P11309 1/20 0.34
CDK9 P50750 1/20 0.34
DYRK2 Q92630 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
LMNA P02545 3/20 0.32
HTT P42858 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
HRH2 P25021 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRA1A P35348 1/20 0.32
NISCH Q9Y2I1 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
SCHEMBL11555941 0.87 PKM (0.34) PKMRXFP1CCNA2CDK2CCNA1
SCHEMBL16016862 0.84 LMNA (0.41) PKMRXFP1DYRK1APIM1CDK9
SCHEMBL9344676 0.84 DYRK1A (0.34) PKMRXFP1DYRK1APIM1CDK9
SCHEMBL16828162 0.80 CCNA2 (0.50) CCNA2CDK2CCNA1DYRK1A
Hydrochloric Acid SCHEMBL16828222 0.78 CCNA2 (0.48) CCNA2CDK2CCNA1DYRK1A
SCHEMBL5765829 0.78 CYP1A2 (0.39) CCNA2CDK2CCNA1HTTPOLB
SCHEMBL9124920 0.76 SMN1; SMN2 (0.36) RXFP1HTTTDP1MAPTSMN1; SMN2
SCHEMBL6639436 0.76 CYP1A2 (0.47) CCNA2CDK2CCNA1LMNAALOX15
SCHEMBL3667991 0.75 CCNA2 (0.34) PKMRXFP1CCNA2CDK2CCNA1
SCHEMBL27365757 0.74 CCNA2 (0.32) CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901141-B2 Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2014-12-02 US disclosed
EP-2240485-B1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL (JP) 2014-10-15 EP disclosed
US-8785460-B2 Tricyclic compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
CN-101981031-A Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL 2011-02-23 CN disclosed
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-25 US disclosed
EP-2240485-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Pharmaceutical Company Limited (JP) 2010-10-20 EP disclosed
US-20090291915-A1 Silicon Compounds and Their Use TAKEDA CAMBRIDGE LIMITED (GB) 2009-11-26 US disclosed
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
WO-2009093747-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-30 WO disclosed
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 US disclosed
US-20080261918-A1 Silicon Compounds and Their Use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 US disclosed
US-20080261918-A1 Silicon Compounds and Their Use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 US disclosed
US-5397781-A Pyrimidine derivatives MOCHIDA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-03-14 US disclosed
EP-0561175-A1 Pyrimidine derivatives and pharmaceutical compostions containing them MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1993-09-22 EP disclosed
EP-0019811-A1 Pyrimidine compounds, process for their preparation, pharmaceutical compositions containing them and their therapeutical use CIBA-GEIGY AG (CH) 1980-12-10 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 (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-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF CRHR1, CRHR2, HCRTR1 PKM 2051/4885RXFP1 12/4885CCNA2 1443/4885
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists GNRHR, GHRHR, FSHR PKM 3487/4885RXFP1 69/4885CCNA2 582/4885
US-20080261918-A1 Silicon Compounds and Their Use SOST, SIK2, SCLY PKM 1470/4885RXFP1 4233/4885CCNA2 1151/4885
US-20090291915-A1 Silicon Compounds and Their Use SOST, SIK2, SIK3 PKM 2477/4885RXFP1 4198/4885CCNA2 1579/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 PKM 3081/4885RXFP1 28/4885CCNA2 1009/4885

“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.