SCHEMBL10245470

SCHEMBL10245470

Cc1cc(Nc2nccc(-c3ccc(NCCN4CCCCC4)nc3)n2)ccc1N1CCN(C)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.51
JAK3 P52333 2/20 0.51
CCNA2 P20248 8/20 0.50
CDK2 P24941 8/20 0.50
CCNA1 P78396 8/20 0.50
EGFR P00533 2/20 0.50
PIM1 P11309 2/20 0.48
CDK4 P11802 2/20 0.48
CCND3 P30281 2/20 0.48
GSK3B P49841 2/20 0.48
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
TNK2 Q07912 1/20 0.46
MTOR P42345 1/20 0.46
STK17A Q9UEE5 1/20 0.46
ZAP70 P43403 1/20 0.46

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
SCHEMBL10246479 0.89 EGFR (0.56) JAK2JAK3CCNA2CDK2CCNA1
SCHEMBL1553865 0.87 JAK2 (0.58) JAK2JAK3CCNA2CDK2CDK4
SCHEMBL10246683 0.83 JAK2 (0.61) JAK2JAK3CDK2EGFRCDK4
SCHEMBL10245614 0.81 PRKD3 (0.56) JAK2JAK3CCNA2CDK2CCNA1
SCHEMBL10245512 0.80 TLR9 (0.61) JAK2JAK3STK17A
SCHEMBL3432796 0.78 EGFR (0.44) JAK2JAK3CCNA2CDK2CCNA1
SCHEMBL6974347 0.77 ZAP70 (0.74) JAK2CDK2EGFRZAP70
SCHEMBL10245770 0.76 JAK2 (0.62) JAK2JAK3CDK2EGFRCDK4
SCHEMBL659614 0.76 JAK2 (0.61) JAK2JAK3CDK2EGFRCDK4
SCHEMBL4284379 0.75 EGFR (0.41) JAK2JAK3CCNA2CDK2CCNA1

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 JAK2 3621/4885JAK3 3454/4885CCNA2 3833/4885
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A JAK2 3533/4885JAK3 3651/4885CCNA2 4100/4885
US-20130096115-A1 METHODS FOR TREATING AUTISM PAK2, PAK3, PAK4 JAK2 3012/4885JAK3 2332/4885CCNA2 4277/4885
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 JAK2 1537/4885JAK3 2335/4885CCNA2 3222/4885
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA PAK2, PAK3, PAK4 JAK2 3244/4885JAK3 3407/4885CCNA2 4293/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 JAK2 1826/4885JAK3 1666/4885CCNA2 4221/4885
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT CHAT, PSEN2, PAK2 JAK2 4529/4885JAK3 4245/4885CCNA2 3042/4885

“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.