SCHEMBL1554796

SCHEMBL1554796

NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cc(F)cc(F)c3)sc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 1.00
KCNH2 Q12809 3/20 0.84

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
SCHEMBL1901944 1.00 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL3064079 0.92 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL3086513 0.91 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL3075799 0.88 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL3070314 0.88 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL4349674 0.87 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL13010134 0.86 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL3069698 0.85 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL3075919 0.85 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL4354902 0.85 CHEK1 (0.86) CHEK1KCNH2

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-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
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
WO-2011159945-A2 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2011-12-22 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
US-20100317715-A1 METHODS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS HOLDINGS, INC. 2010-12-16 US disclosed
US-20100317715-A1 METHODS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS HOLDINGS, INC. 2010-12-16 US disclosed
US-20100317715-A1 METHODS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS HOLDINGS, INC. 2010-12-16 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 (7 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-20100317715-A1 METHODS FOR TREATING NEUROPSYCHIATRIC CONDITIONS GRM5, GRIK5, PAK5 CHEK1 2193/4885KCNH2 3486/4885
US-20120270844-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE PSEN2, MAPT, PSEN1 CHEK1 3969/4885KCNH2 4161/4885
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A CHEK1 4368/4885KCNH2 1599/4885
US-20130096115-A1 METHODS FOR TREATING AUTISM PAK2, PAK3, PAK4 CHEK1 4201/4885KCNH2 2528/4885
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA PAK2, PAK3, PAK4 CHEK1 4242/4885KCNH2 1409/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 CHEK1 2923/4885KCNH2 1186/4885
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT CHAT, PSEN2, PAK2 CHEK1 1084/4885KCNH2 4304/4885

“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.