SCHEMBL5833573

SCHEMBL5833573

COc1ccc2c(ccn2-c2ccccn2)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.64
PTK2 Q05397 4/20 0.53
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.46
HTR6 P50406 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
RAB9A P51151 1/20 0.44
JAK2 O60674 1/20 0.44
PDE10A Q9Y233 1/20 0.43
HTR2C P28335 1/20 0.43
FGFR1 P11362 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL19329987 0.84 ROCK1 (0.60) ROCK1MAPTPOLBHTR6L3MBTL1
SCHEMBL28665938 0.81 ROCK1 (0.71) ROCK1MAPTRAB9AMEN1KMT2A
SCHEMBL28559877 0.81 PTK2 (0.49) ROCK1PTK2MAPTPOLBL3MBTL1
SCHEMBL29388244 0.81 ROCK1 (0.61) ROCK1PTK2MAPTPOLB
SCHEMBL19329708 0.81 ROCK1 (0.61) ROCK1PTK2MAPTPOLB
SCHEMBL12821389 0.78 ROCK1 (1.00) ROCK1
SCHEMBL23051698 0.78 MAPT (0.48) ROCK1PTK2MAPTPOLB
SCHEMBL20784111 0.78 MAPT (0.48) ROCK1MAPTPOLB
SCHEMBL29388268 0.78 ROCK1 (0.47) ROCK1PTK2MAPTPOLB
SCHEMBL31735499 0.78 MAPT (0.48) ROCK1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110252351-B Application of copper catalyst in catalyzing reaction of 1-pyridyl indole compound and tert-butyl nitrite 苏州大学 2021-12-10 CN claimed
US-10940468-B2 Nickel catalyst, process for preparation and use thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2021-03-09 US claimed
WO-2017154022-A1 NOVEL NICKEL CATALYST, PROCESS FOR PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-09-14 WO claimed
CN-113214252-B Synthesis method of 6-phenyl-7- (pyridine-2-yl) -7H-indolo [2,3-c ] quinoline compound 常州大学 2022-02-11 CN disclosed
CN-110252351-B Application of copper catalyst in catalyzing reaction of 1-pyridyl indole compound and tert-butyl nitrite 苏州大学 2021-12-10 CN disclosed
CN-113214252-A Synthesis method of 6-phenyl-7- (pyridine-2-yl) -7H-indolo [2,3-c ] quinoline compound 常州大学 2021-08-06 CN disclosed
US-10940468-B2 Nickel catalyst, process for preparation and use thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2021-03-09 US disclosed
WO-2017154022-A1 NOVEL NICKEL CATALYST, PROCESS FOR PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-09-14 WO disclosed
US-6998492-B2 Organometallic complex and light-emitting element containing the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2006-02-14 US disclosed
US-20040230061-A1 Organometallic complex and light-emitting element containing the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2004-11-18 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 (2 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-10940468-B2 Nickel catalyst, process for preparation and use thereof NISCH, NIT2, C9 ROCK1 4399/4885PTK2 4053/4885MAPT 4758/4885
US-20040230061-A1 Organometallic complex and light-emitting element containing the same NR0B1, BCKDK, NR4A1 ROCK1 3239/4885PTK2 2034/4885MAPT 3920/4885

“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.