SCHEMBL10246893

SCHEMBL10246893

CCNc1ccc(-c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)cn1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.64
JAK3 P52333 2/20 0.59
HDAC1 Q13547 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
STK17A Q9UEE5 1/20 0.58
IKBKB O14920 1/20 0.55
CHUK O15111 1/20 0.55
CDK2 P24941 2/20 0.55
CCNE1 P24864 1/20 0.55
ACVR1 Q04771 1/20 0.54
CDK4 P11802 3/20 0.54
KDR P35968 2/20 0.54
GSK3B P49841 1/20 0.54
EGFR P00533 2/20 0.53
ZAP70 P43403 1/20 0.51
MAPK1 P28482 1/20 0.51
MAP2K1 Q02750 1/20 0.51

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
SCHEMBL10245770 0.92 JAK2 (0.62) JAK2JAK3HDAC1HDAC6STK17A
SCHEMBL10246709 0.89 JAK2 (0.61) JAK2JAK3HDAC1HDAC6STK17A
SCHEMBL659614 0.89 JAK2 (0.61) JAK2JAK3HDAC1HDAC6STK17A
SCHEMBL10246683 0.89 JAK2 (0.61) JAK2JAK3HDAC1HDAC6STK17A
Hydrochloric Acid SCHEMBL660445 0.89 JAK2 (0.60) JAK2JAK3HDAC1HDAC6STK17A
SCHEMBL10246390 0.88 JAK2 (0.59) JAK2JAK3HDAC1HDAC6STK17A
SCHEMBL10192761 0.88 JAK2 (0.59) JAK2JAK3HDAC1HDAC6STK17A
SCHEMBL1553865 0.87 JAK2 (0.58) JAK2JAK3HDAC1HDAC6STK17A
SCHEMBL10245512 0.86 TLR9 (0.61) JAK2JAK3HDAC1HDAC6STK17A
SCHEMBL10346581 0.84 JAK2 (0.70) JAK2JAK3HDAC1HDAC6STK17A

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 10 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
WO-2011044537-A2 METHODS FOR TREATING ALZHEIMER'S DISEASE AFRAXIS, INC. (US) 2011-04-14 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 JAK2 3621/4885JAK3 3454/4885HDAC1 159/4885
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A JAK2 3533/4885JAK3 3651/4885HDAC1 267/4885
US-20130096115-A1 METHODS FOR TREATING AUTISM PAK2, PAK3, PAK4 JAK2 3012/4885JAK3 2332/4885HDAC1 153/4885
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 JAK2 1537/4885JAK3 2335/4885HDAC1 27/4885
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA PAK2, PAK3, PAK4 JAK2 3244/4885JAK3 3407/4885HDAC1 194/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 JAK2 1826/4885JAK3 1666/4885HDAC1 528/4885
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT CHAT, PSEN2, PAK2 JAK2 4529/4885JAK3 4245/4885HDAC1 230/4885

“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.