SCHEMBL1593682

SCHEMBL1593682

O=C1Nc2ccccc2C1=C1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
PDGFRA P16234 1/20 0.52
FER P16591 1/20 0.52
LTK P29376 1/20 0.52
CDK8 P49336 1/20 0.52
ACVR1 Q04771 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
NTRK1 P04629 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CCNA1 P78396 1/20 0.49
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
SRC P12931 1/20 0.44
KDR P35968 1/20 0.44
BRD4 O60885 1/20 0.43
CTRC Q99895 1/20 0.43
ALDH1A1 P00352 3/20 0.42

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
SCHEMBL16566263 0.96 LRRK2 (0.52) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL3005009 0.86 LRRK2 (0.48) LRRK2MAOAMAOBPDGFRAFER
Isoindigo SCHEMBL9899736 0.82 LRRK2 (0.67) LRRK2MAOAMAOBPDGFRAFER
Isoindigo SCHEMBL12386233 0.82 LRRK2 (0.67) LRRK2MAOAMAOBPDGFRAFER
Isoindigo SCHEMBL9899740 0.82 LRRK2 (0.67) LRRK2MAOAMAOBPDGFRAFER
Isoindigo SCHEMBL29349649 0.82 LRRK2 (0.67) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL13243415 0.82 SETD7 (0.57) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL4679160 0.78 NTRK1 (0.44) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL10814662 0.77 LRRK2 (0.43) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL6636725 0.76 LRRK2 (0.46) LRRK2MAOAMAOBPDGFRAFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200032353-A1 DETECTION OF MET AMPLIFICATION TO PREDICT RESPONSIVENESS OF CANCER TO DRUGS THE GENERAL HOSPITAL CORPORATION (US) 2020-01-30 US disclosed
US-20150330967-A1 COMPOSITIONS AND METHODS FOR DIAGNOSING AND TREATING PANCREATIC CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-11-19 US disclosed
US-20140162277-A1 METHOD FOR PREDICTING RESPONSIVENESS TO DRUGS THE GENERAL HOSPITAL CORPORATION (US) 2014-06-12 US disclosed
US-8652786-B2 Method for predicting responsiveness to drugs THE GENERAL HOSPITAL CORPORATION (US) 2014-02-18 US disclosed
US-20110092452-A1 COMPOSITIONS AND METHODS FOR DIAGNOSING AND TREATING PANCREATIC CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-04-21 US disclosed
WO-2009111644-A2 COMPOSITIONS AND METHODS FOR DIAGNOSING AND TREATING PANCREATIC CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-09-11 WO disclosed
US-20080220424-A1 Method for Predicting Responsiveness to Drugs THE GENERAL HOSPITAL CORPORATION (US) 2008-09-11 US disclosed
US-20060246492-A1 Method for predicting responsiveness to drugs THE GENERAL HOSPITAL CORPORATION (US) 2006-11-02 US disclosed
WO-2006108048-A1 METHOD FOR PREDICTING RESPONSIVENESS TO DRUGS THE GENERAL HOSPITAL CORPORATION (US) 2006-10-12 WO disclosed
US-7105562-B2 Geometrically restricted 3-cyclopentylidene-1,3-dihydroindol-2-ones as potent protein tyrosine kinase inhibitors SUGEN, INC. (US) 2006-09-12 US disclosed
US-20050038066-A1 Geometrically restricted 3-cyclopentylidene-1,3-dihydroindol-2-ones as potent protein tyrosine kinase inhibitors SUGEN, INC. 2005-02-17 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 (1 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-20050038066-A1 Geometrically restricted 3-cyclopentylidene-1,3-dihydroindol-2-ones as potent protein tyrosine kinase inhibitors CKS2, ABL1, ERBB2 LRRK2 185/4885MAOA 1562/4885MAOB 1178/4885

“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.