SCHEMBL10245512

SCHEMBL10245512

CN1CCN(c2ccc(Nc3nccc(-c4ccc(NCCN5CCOCC5)nc4)n3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.61
JAK2 O60674 15/20 0.58
JAK3 P52333 7/20 0.55
MKNK1 Q9BUB5 1/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
JAK1 P23458 2/20 0.52
HDAC3 O15379 1/20 0.52
NCOR1 O75376 1/20 0.52
TYK2 P29597 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
STK17A Q9UEE5 1/20 0.52
PLK1 P53350 1/20 0.52

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
SCHEMBL10246683 0.95 JAK2 (0.61) TLR9JAK2JAK3HDAC1HDAC6
SCHEMBL1553865 0.92 JAK2 (0.58) TLR9JAK2JAK3HDAC1HDAC6
SCHEMBL10245770 0.88 JAK2 (0.62) JAK2JAK3HDAC1HDAC6STK17A
SCHEMBL659614 0.87 JAK2 (0.61) JAK2JAK3HDAC1HDAC6STK17A
Hydrochloric Acid SCHEMBL660445 0.86 JAK2 (0.60) JAK2JAK3HDAC1HDAC6STK17A
SCHEMBL10246893 0.86 JAK2 (0.64) JAK2JAK3HDAC1HDAC6STK17A
SCHEMBL10192761 0.86 JAK2 (0.59) JAK2JAK3HDAC1HDAC6STK17A
SCHEMBL10246390 0.86 JAK2 (0.59) JAK2JAK3MKNK1HDAC1HDAC6
SCHEMBL4277083 0.84 JAK2 (0.47) JAK2JAK3MKNK1HDAC1HDAC6
SCHEMBL4284529 0.84 JAK2 (0.47) JAK2JAK3MKNK1HDAC1HDAC6

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 9 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-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2013-08-29 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
US-20120270844-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE AFRAXIS, INC. (US) 2012-10-25 US disclosed
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2012-07-19 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 US disclosed
WO-2011063415-A2 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT AFRAXIS, INC. (US) 2011-05-26 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 (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-20120270844-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE PSEN2, MAPT, PSEN1 TLR9 4251/4885JAK2 3621/4885JAK3 3454/4885
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A TLR9 4717/4885JAK2 3533/4885JAK3 3651/4885
US-20130096115-A1 METHODS FOR TREATING AUTISM PAK2, PAK3, PAK4 TLR9 4763/4885JAK2 3012/4885JAK3 2332/4885
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 TLR9 4872/4885JAK2 1537/4885JAK3 2335/4885
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA PAK2, PAK3, PAK4 TLR9 4721/4885JAK2 3244/4885JAK3 3407/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 TLR9 4665/4885JAK2 1826/4885JAK3 1666/4885
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT CHAT, PSEN2, PAK2 TLR9 4078/4885JAK2 4529/4885JAK3 4245/4885

“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.