SCHEMBL6775003

SCHEMBL6775003

O=C1CC=CC2=C1c1ccccc1CN2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
PARP1 P09874 3/20 0.36
PDPK1 O15530 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
CES1 P23141 2/20 0.34
BCHE P06276 1/20 0.34
TYRO3 Q06418 1/20 0.34
NTRK2 Q16620 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
MAOA P21397 3/20 0.33
MAOB P27338 2/20 0.33
CYP2A6 P11509 1/20 0.33
AURKA O14965 2/20 0.33
KDR P35968 2/20 0.33
MAP3K9 P80192 1/20 0.33
MAP3K11 Q16584 1/20 0.33
TDP2 O95551 1/20 0.32

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
SCHEMBL10969348 0.72 HTR5A (0.41) CA12CA9KDM4E
SCHEMBL1053278 0.71 CES1 (0.46) CES1BCHEMAOAMAOBCYP2A6
Indene SCHEMBL28091465 0.68 CA12 (0.68) CA12CA9PARP1PDPK1PARP10
SCHEMBL5494021 0.67 CDC25B (0.41) CES1BCHEMAOAMAOBTDP2
SCHEMBL9273666 0.67 CES1 (0.33) CES1BCHEMAOAMAOBCYP2A6
SCHEMBL14581370 0.67 CA12 (0.68) CA12CA9PARP1PDPK1PARP10
SCHEMBL4818277 0.67 CA12 (1.00) CA12CA9PARP1PDPK1PARP10
SCHEMBL29355184 0.67 CA12 (1.00) CA12CA9PARP1PDPK1PARP10
SCHEMBL14896 0.67 CA12 (1.00) CA12CA9PARP1PDPK1PARP10
SCHEMBL10900576 0.66 MAOA (0.36) CES1BCHEMAOAMAOBCYP2A6

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
US-6770668-B2 INDOLINYL, 1,2,3,4-TETRAHYDROQUINOLINYL, 1,2,3,4-TETRAHYDRO ISOQUINOLINYL, BENZ(CD)INDOLINYL AND 5,6-DIHYDROPHEN ANTHRIDINYL COMPOUNDS; TREATING NEURODEGENERATIVE DISORDERS WYETH 2004-08-03 US disclosed
US-20030153763-A1 Pharmaceutically active compounds and methods of use WYETH 2003-08-14 US disclosed
US-6514990-B2 Fused N-heterocylic rings substituted at the ring nitrogen with group of formula (R-N(-R1)-C(=NH)-); treating a neurodegenerative disease; N-(m-ethylphenyl)-1-indolinylcarboximidamide, for example SCION PHARMACEUTICALS, INC. 2003-02-04 US disclosed
US-20020099084-A1 Pharmaceutically active compounds and methods of use WYETH 2002-07-25 US disclosed
US-6358993-B1 TREATMENT OF NEUROLOGICAL INJURY AND NEURODEGENERATIVE DISORDERS; NEUROPROTECTIVE AGENTS; SUBSTITUTED INDOLINYL AND INDOLINYL GUANIDINE DERIVATIVES CENES PHARMACEUTICALS, INC. 2002-03-19 US disclosed
US-6025355-A SUBSTITUTED INDOLINYL AND DERIVATIVES THEREOF, NEUROLOGICAL INJURY AND NEURODEGENERATIVE DISORDERS. CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-02-15 US disclosed
EP-0925300-A4 1999-06-30 EP disclosed
EP-0925300-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-30 EP disclosed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed
WO-1997030054-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-08-21 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 (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-20030153763-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN CA12 3190/4885CA9 2755/4885PARP1 691/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN CA12 3190/4885CA9 2755/4885PARP1 691/4885

“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.