SCHEMBL1592771

SCHEMBL1592771

CC(C)(C#N)c1cccc(C(C)(C)C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKCQ Q04759 1/20 0.44
PRKCD Q05655 1/20 0.44
ROCK1 Q13464 1/20 0.44
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
ATM Q13315 1/20 0.39
CYP19A1 P11511 2/20 0.39
UGT1A4 P22310 1/20 0.39
PDE4D Q08499 1/20 0.39
PDPK1 O15530 1/20 0.38
BRAF P15056 10/20 0.36
CYP2C9 P11712 4/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
CSNK2A2 P19784 1/20 0.34
CYP2D6 P10635 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL10183753 0.93 HDAC4 (0.42) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL1625398 0.89 TSHR (0.45) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL2442297 0.87 ACHE (0.44) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL25583300 0.86 NPC1 (0.41) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL1008679 0.85 ESR1 (0.42) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL22667407 0.85 KIF11 (0.44) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL1492878 0.85 KCNN4 (0.43) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL603775 0.85 JAK2 (0.40) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL1013437 0.85 TSHR (0.50) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL13809335 0.85 JAK2 (0.40) JAK2ROCK2PRKCQPRKCDROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10173074-B2 Cancer stem cell vaccination and treatment THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-01-08 US disclosed
US-20150265848-A1 CANCER STEM CELL VACCINATION AND TREATMENT THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-24 US disclosed
US-8246983-B2 Encapsulated arsenic drugs NORTHWESTERN UNIVERSITY (US) 2012-08-21 US disclosed
US-20120149828-A1 WATERBORNE POLYISOCYANATE COMPOSITION THAT PROVIDES A LOW FRICTION COATING WEBB, DAVID 2012-06-14 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
US-7807647-B2 Methods and compositions for cancer therapy PRONAI THERAPEUTICS, INC. (US) 2010-10-05 US disclosed
US-20090197202-A1 PHOTOSENSITIVE PLANOGRAPHIC PRINTING PLATE MATERIAL KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2009-08-06 US disclosed
US-20090118377-A1 APOGOSSYPOLONE AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-07 US disclosed
US-20080260720-A1 Systems and Methods for Inhibiting Metastasis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-10-23 US disclosed
US-7432304-B2 Small molecule antagonists of Bcl-2 family proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-10-07 US disclosed
US-20080176319-A1 Methods and compositions for modulating apoptotic pathways THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2008-07-24 US disclosed
US-20080118437-A1 Diagnosis and treatment O prostate cancer REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-05-22 US disclosed
US-20070243192-A1 Growth hormone receptor antagonist cancer treatment REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-10-18 US disclosed
US-20070213285-A1 Methods and compositions for cancer therapy PRONAI THERAPEUTICS, SOUTHWEST MICHIGAN INNOVATION CENTER (US) 2007-09-13 US disclosed
US-20070065498-A1 Encapsulated arsenic drugs NORTHWESTERN UNIVERSITY (US) 2007-03-22 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-20090118377-A1 APOGOSSYPOLONE AND THE USES THEREOF BCL2, BAD, BAX JAK2 2632/4885ROCK2 1006/4885PRKCQ 1147/4885

“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.