SCHEMBL199891

SCHEMBL199891

Cc1ccc2ncc(C(=O)O)c(=O)n2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.68
KDM4E B2RXH2 4/20 0.68
GLA P06280 2/20 0.68
ALDH1A1 P00352 4/20 0.62
PKM P14618 2/20 0.62
POLB P06746 1/20 0.56
THRB P10828 1/20 0.54
HPGD P15428 4/20 0.51
RXFP1 Q9HBX9 2/20 0.51
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CHEK1 O14757 1/20 0.45
LIMK1 P53667 1/20 0.45
DYRK1A Q13627 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
MAPT P10636 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL198335 0.81 KDM4E (1.00) GAAKDM4EGLAALDH1A1PKM
SCHEMBL11467806 0.81 KDM4E (0.56) GAAKDM4EGLAALDH1A1PKM
SCHEMBL11476009 0.79 EPHB3 (0.49) GAAKDM4EGLAALDH1A1PKM
SCHEMBL14740380 0.79 TGFBR1 (0.53) GAAKDM4EGLAALDH1A1PKM
SCHEMBL9130173 0.78 RXFP1 (0.66) GAAKDM4EGLAALDH1A1PKM
SCHEMBL32688112 0.78 KDM4E (0.56) GAAKDM4EGLAALDH1A1POLB
SCHEMBL9388014 0.78 KDM4E (0.56) GAAKDM4EGLAALDH1A1PKM
Hydrochloric Acid SCHEMBL30809677 0.78 TGFBR1 (0.52) GAAKDM4EGLAALDH1A1PKM
SCHEMBL5717801 0.77 ALDH1A1 (1.00) GAAKDM4EGLAALDH1A1PKM
SCHEMBL11479195 0.76 KDM4E (0.49) GAAKDM4EGLAALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881976-B1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS AMGEN INC (US) 2012-10-17 EP disclosed
EP-1881976-B1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS AMGEN INC (US) 2012-10-17 EP disclosed
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US disclosed
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US disclosed
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US disclosed
US-8088794-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2012-01-03 US disclosed
US-8088794-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2012-01-03 US disclosed
US-8088794-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2012-01-03 US disclosed
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-20080312232-A1 Substituted amide derivatives and methods of use AMGEN INC. (US) 2008-12-18 US disclosed
US-20080312232-A1 Substituted amide derivatives and methods of use AMGEN INC. (US) 2008-12-18 US disclosed
EP-1881976-A1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS Amgen Inc., (US) 2008-01-30 EP disclosed
WO-2006116713-A1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2006-11-02 WO disclosed
US-5387588-A Antiulcer agents CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1995-02-07 US disclosed
EP-0326981-B1 4-Oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide derivatives, their preparation, medicaments containing them and their preparation CHINOIN GYOGYSZER ES VEGYESZET (HU) 1994-11-09 EP disclosed
US-5252572-A Antiulcer agent CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1993-10-12 US disclosed
US-5158951-A Pyridopyrimidine derivatives useful in treatment of ulcers CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYAR RT. (HU) 1992-10-27 US disclosed
EP-0326981-A2 4-Oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide derivatives, their preparation, medicaments containing them and their preparation CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1989-08-09 EP disclosed
US-4192944-A ANTIANAPHYLACTIC BRISTOL-MYERS COMPANY (US) 1980-03-11 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 (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-20080312232-A1 Substituted amide derivatives and methods of use HGF, HGFAC, MET GAA 54/4885KDM4E 3651/4885GLA 295/4885
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES HGF, HGFAC, MET GAA 78/4885KDM4E 3048/4885GLA 302/4885
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET GAA 54/4885KDM4E 3651/4885GLA 295/4885

“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.