SCHEMBL828092

SCHEMBL828092

O=C(Cc1ccnc(F)c1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
LOXL2 Q9Y4K0 1/20 0.47
NPC1 O15118 2/20 0.44
PTPN1 P18031 1/20 0.44
KCNH3 Q9ULD8 4/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NR3C2 P08235 1/20 0.40
HTR7 P34969 1/20 0.40
PLOD2 O00469 1/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LTA4H P09960 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39

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
SCHEMBL3618613 0.88 LOXL2 (0.45) RAB9ALOXL2NPC1ALDH1A1HPGD
SCHEMBL4091982 0.87 LOXL2 (0.47) RAB9ALOXL2ALDH1A1HPGDHSD17B10
SCHEMBL4313456 0.87 LOXL2 (0.47) RAB9ALOXL2KCNH3ALDH1A1HPGD
SCHEMBL4474830 0.84 RAB9A (0.50) RAB9ANPC1PTPN1ALDH1A1HPGD
SCHEMBL2980415 0.84 RAB9A (0.50) RAB9ALOXL2NPC1PTPN1ALDH1A1
SCHEMBL3890809 0.84 RAB9A (0.50) RAB9ANPC1PTPN1ALDH1A1HPGD
SCHEMBL14143255 0.84 RAB9A (0.50) RAB9ANPC1PTPN1ALDH1A1HPGD
SCHEMBL2843687 0.84 LMNA (0.45) RAB9ALOXL2NPC1HSD17B10NR3C2
SCHEMBL5762281 0.82 ALDH1A1 (0.44) LOXL2ALDH1A1HPGDTSHRKDM4E
SCHEMBL2645324 0.80 LTA4H (0.58) RAB9ANPC1PTPN1ALDH1A1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 US disclosed
US-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 US disclosed
US-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 US disclosed
US-9617221-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2017-04-11 US disclosed
US-9617221-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2017-04-11 US disclosed
US-9617221-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2017-04-11 US disclosed
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-02-21 US disclosed
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-02-21 US disclosed
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-02-21 US disclosed
EP-1553096-B1 PYRAZOLE COMPOUNDS UBE INDUSTRIES (JP) 2012-10-31 EP disclosed
US-6579874-B2 P38 MAP kinase inhibitors; treating Tumor necrosis factor (TNF-alpha) and Interleukin-1 mediated diseases, such as rheumatoid arthritis; imidazole and oxazole derivatives NOVARTIS AG (CH) 2003-06-17 US disclosed
WO-2003011285-A1 BENZIMIDAZO[4,5-f]ISOQUINOLINONE DERIVATIVES MERCK & CO., INC. (US) 2003-02-13 WO disclosed
EP-1268474-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
EP-1224185-A1 THIAZOLE AND IMIDAZO[4,5-B]PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE Novartis AG (CH) 2002-07-24 EP disclosed
EP-1224180-A2 SUBSTITUTED AZOLES Novartis AG (CH) 2002-07-24 EP disclosed
US-20020049220-A1 Substituted azoles NOVARTIS AG (CH) 2002-04-25 US disclosed
WO-2001074811-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 WO disclosed
WO-2001057018-A1 AZAAZULENE INHIBITORS OF P38 MAP KINASE AND TNF-ALPHA ABBOTT LABORATORIES (US) 2001-08-09 WO disclosed
WO-2001030778-A1 THIAZOLE AND IMIDAZO [4,5-B] PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE NOVARTIS AG (CH) 2001-05-03 WO disclosed
WO-2000063204-A2 SUBSTITUTED AZOLES NOVARTIS AG (CH) 2000-10-26 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-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 RAB9A 2039/4885LOXL2 2586/4885NPC1 4216/4885
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 RAB9A 2039/4885LOXL2 2586/4885NPC1 4216/4885
US-20020049220-A1 Substituted azoles MAPK1, MAPK4, MAP3K1 RAB9A 1548/4885LOXL2 3592/4885NPC1 3073/4885

“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.