SCHEMBL660399

SCHEMBL660399

CCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)nc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK3 O75914 1/20 0.56
PAK4 O96013 1/20 0.56
LIMK1 P53667 1/20 0.56
LIMK2 P53671 1/20 0.56
PAK1 Q13153 1/20 0.56
PAK2 Q13177 1/20 0.56
PKN1 Q16512 1/20 0.56
RIPK2 O43353 2/20 0.52
ACVR1 Q04771 2/20 0.52
NOD2 Q9HC29 2/20 0.52
TNK2 Q07912 5/20 0.51
JAK3 P52333 5/20 0.48
EGFR P00533 1/20 0.46
FGFR1 P11362 1/20 0.46
WEE1 P30291 1/20 0.46
SRC P12931 1/20 0.46
CCNK O75909 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCND3 P30281 1/20 0.44

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
SCHEMBL1904402 0.88 PAK1 (0.60) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL10192788 0.86 PAK4 (0.65) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL10192787 0.85 PAK3 (0.75) PAK3PAK4LIMK1LIMK2PAK1
Hydrochloric Acid SCHEMBL660053 0.84 PAK3 (0.74) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL660213 0.79 JAK3 (0.58) JAK3CCND3
SCHEMBL15035152 0.78 PAK1 (0.70) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035162 0.78 PAK1 (0.70) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035165 0.77 PAK1 (0.67) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035147 0.76 PAK1 (0.82) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL5762208 0.75 FGFR1 (0.75) RIPK2ACVR1NOD2EGFRFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 US disclosed
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 US disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-20130096115-A1 METHODS FOR TREATING AUTISM AFRAXIS, INC. (US) 2013-04-18 US disclosed
US-20130096115-A1 METHODS FOR TREATING AUTISM AFRAXIS, INC. (US) 2013-04-18 US disclosed
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT AFRAXIS, INC. (US) 2013-03-07 US disclosed
EP-2519241-A2 METHODS FOR TREATING AUTISM Afraxis, Inc. (US) 2012-11-07 EP disclosed
US-20120270844-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE AFRAXIS, INC. (US) 2012-10-25 US disclosed
US-20120270844-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE AFRAXIS, INC. (US) 2012-10-25 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 US disclosed
WO-2011090666-A2 METHODS FOR TREATING AUTISM AFRAXIS, INC. (US) 2011-07-28 WO disclosed
WO-2011090666-A2 METHODS FOR TREATING AUTISM AFRAXIS, INC. (US) 2011-07-28 WO disclosed
WO-2011063415-A2 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT AFRAXIS, INC. (US) 2011-05-26 WO disclosed
WO-2011063415-A2 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT AFRAXIS, INC. (US) 2011-05-26 WO disclosed
WO-2011044537-A2 METHODS FOR TREATING ALZHEIMER'S DISEASE AFRAXIS, INC. (US) 2011-04-14 WO disclosed
WO-2011044537-A2 METHODS FOR TREATING ALZHEIMER'S DISEASE AFRAXIS, INC. (US) 2011-04-14 WO disclosed
WO-2011009097-A2 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2011-01-20 WO disclosed
WO-2011009097-A2 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2011-01-20 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 (5 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-20120270844-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE PSEN2, MAPT, PSEN1 PAK3 10/4885PAK4 14/4885LIMK1 206/4885
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A PAK3 13/4885PAK4 16/4885LIMK1 1000/4885
US-20130096115-A1 METHODS FOR TREATING AUTISM PAK2, PAK3, PAK4 PAK3 2/4885PAK4 3/4885LIMK1 298/4885
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 PAK3 5/4885PAK4 6/4885LIMK1 683/4885
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT CHAT, PSEN2, PAK2 PAK3 9/4885PAK4 14/4885LIMK1 212/4885

“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.