SCHEMBL4569255

SCHEMBL4569255

CC(C)(C)Oc1ccc2[nH]ncc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.49
ROCK1 Q13464 4/20 0.49
ROCK2 O75116 4/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
METAP2 P50579 1/20 0.49
CSNK2A1 P68400 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
HIF1A Q16665 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TRPA1 O75762 3/20 0.47
GSK3B P49841 3/20 0.45
CLK1 P49759 2/20 0.45
CLK2 P49760 2/20 0.45
CDK5 Q00535 2/20 0.45

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
SCHEMBL10598655 0.83 TRPA1 (0.57) NOS1ROCK1ROCK2RAB9AMAPT
SCHEMBL1141784 0.80 RAB9A (0.57) NOS1ROCK1ROCK2RAB9AMAPT
SCHEMBL297873 0.79 NOS1 (0.49) NOS1ROCK1ROCK2RAB9AMAPT
SCHEMBL27849484 0.76 NOS1 (0.42) NOS1ROCK1ROCK2RAB9AMAPT
SCHEMBL28317368 0.76 NPC1 (0.48) NOS1ROCK1ROCK2RAB9AMEN1
SCHEMBL14738568 0.76 MAPT (0.52) NOS1ROCK1ROCK2RAB9AMAPT
SCHEMBL3537344 0.76 RAB9A (0.60) NOS1ROCK1ROCK2RAB9AMAPT
SCHEMBL16023025 0.76 RAB9A (0.50) NOS1ROCK1ROCK2RAB9AMAPT
SCHEMBL27849485 0.75 ROCK1 (0.41) NOS1ROCK1ROCK2RAB9AMAPT
SCHEMBL4509273 0.75 ROCK2 (0.52) NOS1ROCK1ROCK2RAB9AMAPT

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230279023-A1 N/O-Linked Degrons and Degronimers for Protein Degradation C4 THERAPEUTICS, INC. (US) 2023-09-07 US disclosed
US-20230279023-A1 N/O-Linked Degrons and Degronimers for Protein Degradation C4 THERAPEUTICS, INC. (US) 2023-09-07 US disclosed
US-11547697-B2 Heterocyclic compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2023-01-10 US disclosed
US-20200140456-A1 N/O-LINKED DEGRONS AND DEGRONIMERS FOR PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2020-05-07 US disclosed
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2019-11-21 US disclosed
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2018-02-15 US disclosed
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2018-02-15 US disclosed
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20140323721-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC 2014-10-30 US disclosed
US-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2014-10-02 US disclosed
US-8785454-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2014-07-22 US disclosed
US-20130267521-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2013-10-10 US disclosed
US-20130261102-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-10-03 US disclosed
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-02-07 US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 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 (14 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-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB NOS1 3712/4885ROCK1 464/4885ROCK2 475/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB NOS1 2409/4885ROCK1 323/4885ROCK2 394/4885
US-11547697-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB NOS1 3712/4885ROCK1 464/4885ROCK2 475/4885
US-20140323721-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB NOS1 3712/4885ROCK1 464/4885ROCK2 475/4885
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB NOS1 3712/4885ROCK1 464/4885ROCK2 475/4885
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB NOS1 3712/4885ROCK1 464/4885ROCK2 475/4885
US-20230279023-A1 N/O-Linked Degrons and Degronimers for Protein Degradation CRBN, CBL, STUB1 NOS1 4268/4885ROCK1 3110/4885ROCK2 3455/4885
US-20130267521-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB NOS1 2409/4885ROCK1 323/4885ROCK2 394/4885
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB NOS1 3712/4885ROCK1 464/4885ROCK2 475/4885
US-20130261102-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB NOS1 3712/4885ROCK1 464/4885ROCK2 475/4885
US-20200140456-A1 N/O-LINKED DEGRONS AND DEGRONIMERS FOR PROTEIN DEGRADATION CRBN, CBL, STUB1 NOS1 4268/4885ROCK1 3110/4885ROCK2 3455/4885
US-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, AKT3, PIK3CD NOS1 3491/4885ROCK1 466/4885ROCK2 555/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB NOS1 3675/4885ROCK1 458/4885ROCK2 437/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 NOS1 2386/4885ROCK1 229/4885ROCK2 208/4885

“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.