SCHEMBL984222

SCHEMBL984222

O=[N+]([O-])c1cnc2[nH]c(-c3ccccc3F)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PKM P14618 1/20 0.46
AMY1A P0DUB6 2/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPBWR1 P48145 4/20 0.44
PTGES O14684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
METAP1 P53582 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GUSB P08236 1/20 0.39
MET P08581 1/20 0.39
KDR P35968 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 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
SCHEMBL986989 0.85 ALDH1A1 (0.46) NPC1RAB9AALDH1A1L3MBTL1AMY1A
SCHEMBL986842 0.85 NPBWR1 (0.62) NPC1RAB9AALDH1A1L3MBTL1AMY1A
SCHEMBL984422 0.82 RAB9A (0.59) NPC1RAB9AALDH1A1L3MBTL1MAPT
SCHEMBL2973918 0.80 NPBWR1 (0.44) NPC1RAB9AALDH1A1L3MBTL1AMY1A
SCHEMBL984215 0.80 MAPT (0.49) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL3190704 0.80 AMY1A (0.59) NPC1RAB9AALDH1A1L3MBTL1PKM
SCHEMBL986675 0.78 NPC1 (0.51) NPC1RAB9AALDH1A1L3MBTL1PKM
SCHEMBL13607846 0.78 PTGES (0.55) NPC1RAB9AALDH1A1L3MBTL1PKM
SCHEMBL5251968 0.78 NPC1 (0.59) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL3190714 0.77 AMY1A (0.73) NPC1RAB9AALDH1A1L3MBTL1PKM

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301280-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-05-28 US disclosed
EP-2935248-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-02-28 EP disclosed
US-20170349572-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-12-07 US disclosed
US-20170349572-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-12-07 US disclosed
US-20170349572-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-12-07 US disclosed
US-9676748-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-06-13 US disclosed
US-9676748-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-06-13 US disclosed
US-9676748-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-06-13 US disclosed
EP-2935248-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2015-10-28 EP disclosed
US-20140213554-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-07-31 US disclosed
US-20140213554-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-07-31 US disclosed
WO-2014100620-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-06-26 WO disclosed
WO-2014100620-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-06-26 WO disclosed
EP-2265609-B1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-05 EP disclosed
US-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. 2011-01-06 US disclosed
EP-2265609-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111277-A9 IMIDAZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-12-30 WO disclosed
WO-2009111277-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 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 (4 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-20140213554-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA NPC1 2755/4885RAB9A 1022/4885ALDH1A1 2054/4885
US-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS BRAF, RAF1, ARAF NPC1 3527/4885RAB9A 752/4885ALDH1A1 1091/4885
US-10301280-B2 Compounds and methods for kinase modulation, and indications therefor KIT, PRKCH, PRKACA NPC1 2755/4885RAB9A 1022/4885ALDH1A1 2054/4885
US-20170349572-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA NPC1 2755/4885RAB9A 1022/4885ALDH1A1 2054/4885

“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.