SCHEMBL2787055

SCHEMBL2787055

NC(=O)c1cc[nH]c(=O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.39
RIPK1 Q13546 1/20 0.38
PIM1 P11309 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.37
CCNT1 O60563 1/20 0.36
CCND1 P24385 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
CDK6 Q00534 1/20 0.36
DYRK1A Q13627 1/20 0.35
IKBKB O14920 3/20 0.35
CHUK O15111 3/20 0.35
NUDT1 P36639 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NNMT P40261 1/20 0.33

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
Pyrrole SCHEMBL12467466 0.91 PDPK1 (0.38) PDPK1RIPK1PIM1LMNAMAPK1
SCHEMBL4308970 0.84 RIPK1 (0.31) PDPK1RIPK1MAPK1DYRK1A
SCHEMBL4102491 0.81 KDM4E (0.48) LMNAALDH1A1
SCHEMBL4112718 0.80 P2RX7 (0.49) MAPK1DYRK1AALDH1A1
SCHEMBL4309792 0.80 JAK3 (0.33) GSK3B
SCHEMBL7052922 0.79 KDM4E (0.32) DYRK1A
SCHEMBL10424836 0.78 PDPK1 (0.38) PDPK1RIPK1PIM1LMNAMAPK1
SCHEMBL19463620 0.76 PIM1 (0.43) PDPK1RIPK1PIM1LMNAMAPK1
SCHEMBL2785730 0.76 MAPK1 (0.42) MAPK1CDK8ALDH1A1
Cytosine SCHEMBL27595867 0.75 TSHR (0.40) PDPK1RIPK1MAPK1CCNT1CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2592070-B1 Tetrazole-substituted arylamides HOFFMANN LA ROCHE (CH) 2016-08-31 EP claimed
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP claimed
EP-2592070-A2 Tetrazole-substituted arylamides F. Hoffmann-La Roche AG (CH) 2013-05-15 EP claimed
US-8202863-B2 2-Phenyl-pyrimidine-5-carboxylic acid benzylamide; to treat allergic and/or inflammatory disorders, particularly disorders such as allergic rhinitis, asthma and/or chronic obstructive pulmonary disease AVENTIS PHARMACEUTICALS INC. (US) 2012-06-19 US claimed
EP-1991543-A1 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACIDS AND 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID AMIDES AS PLK1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2008-11-19 EP claimed
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US claimed
EP-1937652-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2008-07-02 EP claimed
WO-2007096315-A1 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACIDS AND 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID AMIDES AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO claimed
US-20070203210-A1 Thiazolyl-benzimidazoles BOYLAN JOHN FREDERICK 2007-08-30 US claimed
WO-2007041634-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2007-04-12 WO claimed
US-20220041606-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 UNIV VANDERBILT (US) 2022-02-10 US disclosed
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists ROCHE PALO ALTO LLC (US) 2019-02-12 US disclosed
US-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-05-25 US disclosed
EP-2847174-B1 PYRIMIDINONE CARBOXAMIDES AS INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2017-05-17 EP disclosed
US-9593128-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists HOFFMANN-LA ROCHE INC. (US) 2017-03-14 US disclosed
WO-2007096315-A1 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACIDS AND 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID AMIDES AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed
WO-2007041634-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2007-04-12 WO disclosed
WO-2003028739-A2 COMPOSITION FOR PREVENTING OR TREATING HYPERLIPIDEMIA OR HYPERGLYCEMIA COMPRISING A POLYMER OR ITS SALT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 WO disclosed
WO-2002032974-A2 POLYMER AND ITS USE FOR THE TREATMENT AND/OR PREVENTION OF HYPERPHOSPHOREMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-25 WO disclosed
US-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 US 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-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, LTC4S PDPK1 395/4885RIPK1 3162/4885PIM1 2833/4885
US-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS P2RX2, P2RX3, TPX2 PDPK1 2474/4885RIPK1 2953/4885PIM1 3795/4885
US-20220041606-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM4, CHRM2 PDPK1 1231/4885RIPK1 1799/4885PIM1 3747/4885
US-20070203210-A1 Thiazolyl-benzimidazoles CYP3A7, CYP2C19, CYP3A5 PDPK1 3462/4885RIPK1 4731/4885PIM1 287/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 PDPK1 2493/4885RIPK1 3021/4885PIM1 3900/4885

“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.