SCHEMBL984422

SCHEMBL984422

O=[N+]([O-])c1cnc2[nH]c(-c3ccccc3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.59
MAPT P10636 5/20 0.59
NPBWR1 P48145 4/20 0.59
NPC1 O15118 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GUSB P08236 2/20 0.51
MMP2 P08253 2/20 0.51
MMP9 P14780 2/20 0.51
MMP8 P22894 2/20 0.51
TNKS O95271 1/20 0.51
NLRP3 Q96P20 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
PARP2 Q9UGN5 1/20 0.51
ALDH1A1 P00352 2/20 0.50
CHEK2 O96017 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MMP13 P45452 2/20 0.48

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
SCHEMBL5251968 0.90 NPC1 (0.59) RAB9AMAPTNPBWR1NPC1SMN1; SMN2
SCHEMBL988049 0.88 NPC1 (0.60) RAB9AMAPTNPBWR1NPC1SMN1; SMN2
SCHEMBL986022 0.87 RAB9A (0.65) RAB9AMAPTNPBWR1NPC1SMN1; SMN2
SCHEMBL984215 0.86 MAPT (0.49) RAB9AMAPTNPBWR1NPC1SMN1; SMN2
SCHEMBL987534 0.86 NPBWR1 (0.61) RAB9AMAPTNPBWR1NPC1SMN1; SMN2
SCHEMBL986061 0.86 MMP13 (0.57) RAB9AMAPTNPBWR1NPC1SMN1; SMN2
SCHEMBL987496 0.86 NPBWR1 (0.61) RAB9AMAPTNPBWR1NPC1SMN1; SMN2
SCHEMBL984237 0.86 MMP13 (0.57) RAB9AMAPTNPBWR1NPC1SMN1; SMN2
SCHEMBL986445 0.86 NPBWR1 (0.63) RAB9AMAPTNPBWR1NPC1SMN1; SMN2
SCHEMBL4476782 0.85 RAB9A (0.53) RAB9AMAPTNPBWR1NPC1SMN1; SMN2

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
WO-2024219864-A1 NOVEL COMPOUND EXHIBITING SETDB1 INHIBITORY ACTIVITY, AND USE THEREOF 주식회사 넷타겟 2024-10-24 WO disclosed
EP-2265609-B1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-05 EP disclosed
EP-1919910-B1 AZABENZIMIDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTI-CANCER AGENTS HOFFMANN LA ROCHE (CH) 2011-02-23 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
US-7786113-B2 Heterocyclic carbamate derivatives, their manufacture and use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2010-08-31 US disclosed
US-7776878-B2 Heterocyclic benzylamino derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2010-08-17 US disclosed
US-20100120840-A1 Heterocyclic benzylamino derivatives, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG (CH) 2010-05-13 US disclosed
WO-2009111277-A9 IMIDAZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-12-30 WO disclosed
US-7618964-B2 Benzamide derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-11-17 US disclosed
EP-1919910-A1 AZABENZIMIDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTI-CANCER AGENTS F. Hoffmann-la Roche AG (CH) 2008-05-14 EP disclosed
EP-1912987-A1 HETEROCYCLIC BENZYLAMINO DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2008-04-23 EP disclosed
US-20080039460-A1 Benzamide Derivatives, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2008-02-14 US disclosed
US-20080009492-A1 Heterocyclic Carbamate Derivatives, Their Manufacture And Use As Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-01-10 US disclosed
EP-1833829-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2007-09-19 EP disclosed
EP-1831218-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-09-12 EP disclosed
WO-2007017143-A1 AZABENZIMIDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed
WO-2007014707-A1 HETEROCYCLIC BENZYLAMINO DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 WO disclosed
WO-2006066914-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed
WO-2006066913-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 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-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS BRAF, RAF1, ARAF RAB9A 752/4885MAPT 4751/4885NPBWR1 3190/4885
US-20080009492-A1 Heterocyclic Carbamate Derivatives, Their Manufacture And Use As Pharmaceutical Agents RCC2, ACMSD, CPS1 RAB9A 997/4885MAPT 3652/4885NPBWR1 4467/4885
US-20080039460-A1 Benzamide Derivatives, Their Manufacture and Use as Pharmaceutical Agents TMBIM6, BAK1, CYP3A5 RAB9A 1396/4885MAPT 3515/4885NPBWR1 3977/4885
US-20100120840-A1 Heterocyclic benzylamino derivatives, their manufacture and use as pharmaceutical agents CYP3A5, ABCB1, CYP3A43 RAB9A 372/4885MAPT 4207/4885NPBWR1 3328/4885

“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.