SCHEMBL933446

SCHEMBL933446

COc1cc2c(Nc3ccc(C)cc3Cl)c(C#N)cnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 0.87
FYN P06241 4/20 0.87
ABL1 P00519 3/20 0.81
BCR P11274 3/20 0.81
WEE2 P0C1S8 2/20 0.81
WEE1 P30291 2/20 0.81
PKMYT1 Q99640 2/20 0.81
STK25 O00506 1/20 0.81
CIT O14578 1/20 0.81
RIOK3 O14730 1/20 0.81
MAP2K7 O14733 1/20 0.81
CHEK1 O14757 1/20 0.81
CASK O14936 1/20 0.81
GAK O14976 1/20 0.81
EPHB6 O15197 1/20 0.81
MAP3K13 O43283 1/20 0.81
MAP3K7 O43318 1/20 0.81
RIPK2 O43353 1/20 0.81
NUAK1 O60285 1/20 0.81
JAK2 O60674 1/20 0.81

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
SCHEMBL934766 0.93 SRC (1.00) SRCFYNABL1BCRWEE2
SCHEMBL17855980 0.90 SRC (0.88) SRCFYNABL1BCRWEE2
SCHEMBL23746826 0.90 SRC (0.88) SRCFYNABL1BCRWEE2
Bosutinib SCHEMBL29389315 0.90 SRC (1.00) SRCFYNABL1BCRWEE2
Bosutinib SCHEMBL29350234 0.90 SRC (1.00) SRCFYNABL1BCRWEE2
Bosutinib SCHEMBL29428159 0.90 SRC (1.00) SRCFYNABL1BCRWEE2
Bosutinib SCHEMBL19207253 0.90 SRC (1.00) SRCFYNABL1BCRWEE2
Bosutinib SCHEMBL158390 0.90 SRC (1.00) SRCFYNABL1BCRWEE2
Bosutinib SCHEMBL2887945 0.90 SRC (1.00) SRCFYNABL1BCRWEE2
Bosutinib SCHEMBL19207270 0.88 SRC (0.97) SRCFYNABL1BCRWEE2

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 16 patents. 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-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2013-08-29 US disclosed
EP-2582374-A2 METHODS FOR TREATING NEUROLOGICAL CONDITIONS Afraxis, Inc. (US) 2013-04-24 EP 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
EP-2504011-A2 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT Afraxis, Inc. (US) 2012-10-03 EP disclosed
EP-2485733-A2 METHODS FOR TREATING ALZHEIMER'S DISEASE Afraxis, Inc. (US) 2012-08-15 EP disclosed
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2012-07-19 US disclosed
EP-2453896-A2 METHODS FOR TREATING SCHIZOPHRENIA Afraxis, Inc. (US) 2012-05-23 EP disclosed
WO-2011159945-A2 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2011-12-22 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 SRC 343/4885FYN 109/4885ABL1 2564/4885
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A SRC 966/4885FYN 648/4885ABL1 926/4885
US-20130096115-A1 METHODS FOR TREATING AUTISM PAK2, PAK3, PAK4 SRC 689/4885FYN 317/4885ABL1 1793/4885
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA PAK2, PAK3, PAK4 SRC 691/4885FYN 367/4885ABL1 893/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 SRC 1296/4885FYN 240/4885ABL1 1316/4885
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT CHAT, PSEN2, PAK2 SRC 1747/4885FYN 216/4885ABL1 4300/4885

“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.