SCHEMBL285633

SCHEMBL285633

O=C(Nc1ccc(F)cc1F)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
POLB P06746 3/20 0.60
MGLL Q99685 2/20 0.57
CASP3 P42574 1/20 0.57
NPC1 O15118 3/20 0.57
PPIA P62937 1/20 0.57
ALDH1A1 P00352 2/20 0.56
MGAT2 Q10469 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.55
MAOB P27338 1/20 0.51
EGFR P00533 1/20 0.50
KCNA5 P22460 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL12892596 0.89 RAB9A (0.57) RAB9APOLBMGLLCASP3NPC1
SCHEMBL13529179 0.87 CASP3 (0.56) RAB9APOLBMGLLCASP3NPC1
SCHEMBL26030821 0.87 CASP3 (0.62) RAB9APOLBMGLLCASP3NPC1
SCHEMBL5716053 0.87 RAB9A (0.63) RAB9APOLBMGLLCASP3NPC1
SCHEMBL13193092 0.86 RAB9A (0.55) RAB9APOLBMGLLCASP3NPC1
SCHEMBL309572 0.86 RAB9A (0.55) RAB9APOLBMGLLCASP3NPC1
SCHEMBL4335082 0.85 RAB9A (0.51) RAB9APOLBMGLLCASP3NPC1
SCHEMBL17653857 0.85 NPC1 (0.57) RAB9APOLBMGLLCASP3NPC1
Hydrochloric Acid SCHEMBL17653847 0.85 NPC1 (0.53) RAB9APOLBMGLLCASP3NPC1
SCHEMBL29952662 0.85 CASP3 (0.54) RAB9APOLBMGLLCASP3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
US-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
US-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP disclosed
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP disclosed
EP-3088400-A1 PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON INC. (US) 2016-11-02 EP disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
EP-1361880-B1 6-SUBSTITUTED PYRIDO-PYRIMIDINES HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
US-20040116698-A1 6-Substituted pyrido-pyrimidines CHEN JIAN JEFFREY (US) 2004-06-17 US disclosed
US-6696566-B2 SELECTIVE P38 KINASE INHIBITORS RELATIVE TO CYCLIN-DEPENDENT KINASES AND TYROSINE KINASES SYNTEX (U.S.A.) LLC 2004-02-24 US disclosed
EP-1361880-A2 6-SUBSTITUTED PYRIDO-PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-19 EP disclosed
US-20030171584-A1 Treating p38 mediated disorders such as arthritis, Crohns disease, irritable bowel syndrome adult respiratory distress syndrome or chronic obstructive pulmonary disease. SYNTEX (U.S.A.) LLC 2003-09-11 US disclosed
WO-2002064594-A2 6-SUBSTITUTED PYRIDO-PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-22 WO 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-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 RAB9A 1597/4885POLB 1487/4885MGLL 2855/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 RAB9A 1597/4885POLB 1487/4885MGLL 2855/4885
US-20030171584-A1 Treating p38 mediated disorders such as arthritis, Crohns disease, irritable bowel syndrome adult respiratory distress syndrome or chronic obstructive pulmonary disease. ARRB1, MAPK1, MAPK8 RAB9A 369/4885POLB 2537/4885MGLL 4376/4885

“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.