SCHEMBL855089

SCHEMBL855089

Fc1ccc2[c]ccnc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FERMT2 Q96AC1 1/20 0.35
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
KDM4E B2RXH2 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
KMT2A Q03164 2/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
MAPT P10636 3/20 0.31
SHMT2 P34897 1/20 0.31
GAK O14976 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL856993 0.84 CCNC (0.35) FERMT2PDGFRBPDGFRAKDM4ECCNB2
SCHEMBL217998 0.78 NR4A2 (0.47) FERMT2PDGFRBPDGFRAKMT2AMAPT
SCHEMBL1496286 0.76 HTT (0.46) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL4471481 0.76 ALDH1A1 (0.46) KDM4ECCNB2CDK1CCNB1GSK3A
SCHEMBL946296 0.76 NOS3 (0.39) KDM4ECCNB2CDK1CCNB1GSK3A
SCHEMBL22121734 0.74 ACVR1 (0.35)
SCHEMBL9900652 0.72 NPC1 (0.38) KMT2AMEN1
SCHEMBL5746853 0.72 NOS3 (0.39) KDM4EGSK3AGSK3BKMT2AMAPT
SCHEMBL22121598 0.72 RECQL (0.39)
SCHEMBL22121606 0.72 PIK3CA (0.41) PDGFRBPDGFRACDK5CDK8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US claimed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US claimed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP claimed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 WO claimed
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US disclosed
EP-2796456-A1 Bicyclic compounds as Pim inhibitors Amgen Inc. (US) 2014-10-29 EP disclosed
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-04-17 US disclosed
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US disclosed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP disclosed
EP-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-02-15 US disclosed
US-7157465-B2 Adenine derivatives DAINIPPON SIMITOMO PHARMA CO., LTD. (JP) 2007-01-02 US disclosed
EP-1673357-A2 HETEROARYLAMINOSULFONYLPHENYL DERIVATIVES FOR USE AS SODIUM OR CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-28 EP disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
US-20050137190-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 US disclosed
WO-2005013914-A2 HETEROARYLAMINOSULFONYLPHENYL DERIVATIVES FOR USE AS SODIUM OR CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-17 WO disclosed
US-20040132748-A1 Novel adenne derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-08 US disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 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 (7 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-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 FERMT2 4541/4885PDGFRB 4295/4885PDGFRA 4442/4885
US-20050137190-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 FERMT2 554/4885PDGFRB 3667/4885PDGFRA 3575/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 FERMT2 554/4885PDGFRB 3667/4885PDGFRA 3575/4885
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA FERMT2 2800/4885PDGFRB 1292/4885PDGFRA 1346/4885
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis IRF3, IFNAR1, IFNG FERMT2 4736/4885PDGFRB 2678/4885PDGFRA 3743/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA FERMT2 2677/4885PDGFRB 1410/4885PDGFRA 1653/4885
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS PIM1, PIM2, PIM3 FERMT2 2548/4885PDGFRB 1570/4885PDGFRA 1147/4885

“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.