SCHEMBL301513

SCHEMBL301513

O/N=C/c1cccc(-c2ccncc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.47
KCNH2 Q12809 1/20 0.45
DYRK3 O43781 2/20 0.45
DYRK1A Q13627 2/20 0.45
DYRK2 Q92630 2/20 0.45
DYRK1B Q9Y463 2/20 0.45
NOTUM Q6P988 1/20 0.43
KIF11 P52732 1/20 0.43
CCNT1 O60563 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHEK1 O14757 1/20 0.42
QDPR P09417 1/20 0.40
PRMT6 Q96LA8 1/20 0.40

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
SCHEMBL301514 1.00 PRKCI (0.47) PRKCIKCNH2DYRK3DYRK1ADYRK2
Hydrochloric Acid SCHEMBL973504 0.98 PRKCI (0.46) PRKCIKCNH2DYRK3DYRK1ADYRK2
Hydrochloric Acid SCHEMBL973503 0.98 PRKCI (0.46) PRKCIKCNH2DYRK3DYRK1ADYRK2
SCHEMBL2164241 0.85 KDM4E (0.52) KCNH2DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL2164243 0.85 KDM4E (0.52) KCNH2DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL8308133 0.85 KDM4E (0.52) KCNH2DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL27361416 0.83 CYP2A6 (0.51) DYRK3DYRK1ADYRK2DYRK1BCCNT1
SCHEMBL10389909 0.77 TLR4 (0.46) KCNH2DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL10389910 0.77 TLR4 (0.46) KCNH2DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL25398509 0.76 TLR4 (0.55) DYRK3DYRK1ADYRK2DYRK1BCCNT1

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-20130225825-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-08-29 US claimed
JP-4851440-B2 2012-01-11 JP claimed
EP-1723140-B1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-11-04 EP claimed
US-20070197597-A1 Process for the preparation of tryptase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US claimed
EP-1723140-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-11-22 EP claimed
WO-2005095385-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 WO claimed
EP-1571150-A1 Process for the preparation of tryptase inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP claimed
US-20130225825-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-08-29 US disclosed
US-20110015400-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-01-20 US disclosed
US-20110015400-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-01-20 US disclosed
EP-1723140-B1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-11-04 EP disclosed
US-20070197597-A1 Process for the preparation of tryptase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
US-20070197597-A1 Process for the preparation of tryptase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
EP-1723140-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-11-22 EP disclosed
WO-2005095385-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 WO disclosed
EP-1571150-A1 Process for the preparation of tryptase inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-09-07 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 (3 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-20130225825-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS CMA1, TPSAB1, TPSB2 PRKCI 3904/4885KCNH2 2023/4885DYRK3 4562/4885
US-20110015400-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS CMA1, TPSAB1, TPSB2 PRKCI 3904/4885KCNH2 2023/4885DYRK3 4562/4885
US-20070197597-A1 Process for the preparation of tryptase inhibitors CMA1, TPSAB1, TPSB2 PRKCI 3904/4885KCNH2 2023/4885DYRK3 4562/4885

“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.