SCHEMBL219856

SCHEMBL219856

Nc1nnc(-c2ccccc2)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.65
CSNK1A1 P48729 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
ADORA2A P29274 3/20 0.50
ADORA1 P30542 2/20 0.50
HTT P42858 3/20 0.48
LMNA P02545 2/20 0.48
NUDT1 P36639 1/20 0.47
ALDH1A1 P00352 5/20 0.46
NPSR1 Q6W5P4 4/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
PBRM1 Q86U86 1/20 0.44
ADORA2B P29275 1/20 0.43
ENPP3 O14638 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL31132418 1.00 KDM4E (0.65) KDM4ECSNK1A1CLK4ADORA2AADORA1
SCHEMBL4864061 0.86 HTT (0.60) KDM4ECSNK1A1CLK4ADORA2AADORA1
SCHEMBL9775493 0.86 KDM4E (0.58) KDM4ECSNK1A1CLK4ADORA2AADORA1
SCHEMBL13603540 0.84 ALDH1A1 (0.60) KDM4EADORA2AHTTLMNAALDH1A1
SCHEMBL26516940 0.84 KDM4E (0.56) KDM4EADORA2AADORA1LMNAALDH1A1
SCHEMBL14959329 0.84 KDM4E (0.56) KDM4EADORA2AADORA1HTTLMNA
SCHEMBL13457926 0.81 HTT (0.56) KDM4EADORA2AADORA1HTTLMNA
SCHEMBL31416835 0.81 KDM4E (1.00) KDM4EHTTLMNAALDH1A1MAPT
SCHEMBL221530 0.81 KDM4E (1.00) KDM4EHTTLMNAALDH1A1MAPT
SCHEMBL14959257 0.80 KDM4E (0.50) KDM4EADORA2AADORA1ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137177-A2 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2009-12-30 EP claimed
WO-2008124083-A2 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2008-10-16 WO claimed
US-20140336182-A1 Aurora Kinase Modulators and Method of Use AMGEN INC (US) 2014-11-13 US disclosed
EP-2137177-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-05-07 EP disclosed
US-8557816-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2012-05-17 US disclosed
US-8088774-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2012-01-03 US disclosed
US-8088774-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2012-01-03 US disclosed
US-8088774-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2012-01-03 US disclosed
US-7981891-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-07-19 US disclosed
US-7888357-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2011-02-15 US disclosed
US-5716956-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS BEARSDEN BEARSDEN BIO, INC. (US) 1998-02-10 US disclosed
WO-1997026247-A1 1-ARYLPHTHALAZINE ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS SYMPHONY PHARMACEUTICALS, INC. (US) 1997-07-24 WO disclosed
US-5643911-A CEREBROVASCULAR DISEASE MITSUBISHI CHEMICAL CORPORATION (JP) 1997-07-01 US disclosed
WO-1996040646-A1 DIHYDROPHTHALAZINE ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS SYMPHONY PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
US-5462941-A 1-(cyclohexylalkylamino)-4-(phenyl, thienyl, or furyl) phthalazines; anti-platelet agglutination agents for treatment or prevention of cerebro- or cardiovascular disorders MITSUBISHI CHEMICAL CORPORATION (JP) 1995-10-31 US disclosed
EP-0449203-B1 4-Phenylphthalazine derivatives MITSUBISHI CHEM IND (JP) 1994-12-07 EP disclosed
EP-0534443-A1 3,6-Disubstituted pyridazine derivatives Mitsubishi Chemical Corporation (JP) 1993-03-31 EP disclosed
US-5089494-A 4-PHENYLPHTHALAZINE DERIVATIVES WHICH INHIBIT PLATELET AGGREGATION MITSUBISHI KASEI CORPORATION (JP) 1992-02-18 US disclosed
EP-0449203-A1 4-Phenylphthalazine derivatives Mitsubishi Chemical Corporation (JP) 1991-10-02 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-20140336182-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, CDK1 KDM4E 1131/4885CSNK1A1 77/4885CLK4 339/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 KDM4E 1131/4885CSNK1A1 77/4885CLK4 339/4885

“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.