SCHEMBL1911908

SCHEMBL1911908

COc1cc(N2CCOCC2)c(OC)cc1N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.46
PRKDC P78527 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 1/20 0.42
PDE10A Q9Y233 1/20 0.41
GAK O14976 1/20 0.41
KIT P10721 1/20 0.41
AKR1C3 P42330 1/20 0.40
KCNH2 Q12809 1/20 0.40
TNIK Q9UKE5 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 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
Hydrochloric Acid SCHEMBL7721210 0.98 LGMN (0.45) LGMNPRKDCMAPTALDH1A1PIK3CA
SCHEMBL4094752 0.93 LGMN (0.46) LGMNPRKDCMAPTALDH1A1PIK3CA
SCHEMBL22003311 0.90 LGMN (0.50) LGMNPRKDCMAPTALDH1A1PIK3CA
SCHEMBL30505441 0.89 LGMN (0.49) LGMNPRKDCMAPTALDH1A1PIK3CA
SCHEMBL23153727 0.87 LGMN (0.44) LGMNPRKDCMAPTALDH1A1PIK3CA
SCHEMBL24179133 0.87 MAPT (0.47) LGMNPRKDCMAPTALDH1A1PIK3CA
SCHEMBL21382460 0.86 POLB (0.51) LGMNPRKDCMAPTALDH1A1PIK3CA
SCHEMBL19174694 0.86 MAPT (0.54) LGMNPRKDCMAPTALDH1A1PIK3CA
SCHEMBL20764155 0.84 MAPT (0.58) MAPTALDH1A1GAASMN1; SMN2LMNA
SCHEMBL23759566 0.83 ALDH1A1 (0.46) LGMNPRKDCMAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877298-B1 Coated xerographic photographic paper XEROX CORP (US) 2001-08-29 EP claimed
US-8263590-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2012-09-11 US disclosed
US-8263590-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2012-09-11 US disclosed
EP-1660458-B1 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2012-01-25 EP disclosed
US-20110201606-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2011-08-18 US disclosed
US-20110201606-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2011-08-18 US disclosed
US-7964592-B2 2,4-di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2011-06-21 US disclosed
US-7964592-B2 2,4-di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2011-06-21 US disclosed
US-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2011-04-28 US disclosed
US-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2011-04-28 US disclosed
US-7893074-B2 inhibition of focal adhesion kinase or/and IGF-1 Receptor; for example: 2-[2-(2,5-Dimethoxy-phenylamino)-5-nitro-pyrimidin-4-ylamino]-N-methyl-benzenesulfonamide NOVARTIS AG (CH) 2011-02-22 US disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 US disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 US disclosed
EP-0333005-A1 Light-sensitive dialkoxybenzenediazonium compound, method for its preparation and its use HOECHST AKTIENGESELLSCHAFT (DE) 1989-09-20 EP disclosed
US-4642383-A 2,21-DIHYDROXYDIPHENYL SULFIDES, SULFOXIDES, AND SULFONES JAMES RIVER GRAPHICS, INC. (US) 1987-02-10 US disclosed
EP-0014982-B1 TWO-COMPONENT DIAZOTYPE MATERIAL HOECHST AKTIENGESELLSCHAFT (DE) 1982-07-28 EP disclosed
US-4273850-A 2,5-DIALKOXY-4-ARYLMERCAPTOBENZENE DIAZONIUM SALTS AND A HYDROXYNAPHTHALENE DISULFONAMIDE COUPLER HOECHST AKTIENGESELLSCHAFT (DE) 1981-06-16 US disclosed
EP-0014982-A2 Two-component diazotype material HOECHST AKTIENGESELLSCHAFT (DE) 1980-09-03 EP disclosed
US-3976491-A DIAZONIUM SALT, DIHYDROXYBENZENE COUPLER SCOTT PAPER COMPANY (US) 1976-08-24 US disclosed
US-3971663-A CYANOACETAMIDO NAPHTHALENES OCE-BRUNING, INC. A CORP. OF DELAWARE 1976-07-27 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-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS TYMS, TYMP, DPYD LGMN 4186/4885PRKDC 1252/4885MAPT 2197/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD LGMN 3964/4885PRKDC 1185/4885MAPT 2178/4885
US-20110201606-A1 PYRIMIDINE DERIVATIVES DPYD, TYMP, TYMS LGMN 4726/4885PRKDC 723/4885MAPT 2574/4885

“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.