SCHEMBL659614

SCHEMBL659614

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.61
EGFR P00533 2/20 0.58
PRKD3 O94806 1/20 0.58
PRKCG P05129 1/20 0.58
PRKCB P05771 1/20 0.58
LCK P06239 1/20 0.58
PRKCA P17252 1/20 0.58
PRKCH P24723 1/20 0.58
PRKCI P41743 1/20 0.58
ZAP70 P43403 1/20 0.58
PRKCE Q02156 1/20 0.58
PRKCQ Q04759 1/20 0.58
PRKCZ Q05513 1/20 0.58
PRKCD Q05655 1/20 0.58
PRKD1 Q15139 1/20 0.58
JAK3 P52333 2/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
STK17A Q9UEE5 1/20 0.55
IKBKB O14920 1/20 0.53

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
Hydrochloric Acid SCHEMBL660445 0.99 JAK2 (0.60) JAK2EGFRPRKD3PRKCGPRKCB
SCHEMBL10192761 0.94 JAK2 (0.59) JAK2EGFRPRKD3PRKCGPRKCB
SCHEMBL10245770 0.91 JAK2 (0.62) JAK2EGFRJAK3HDAC1HDAC6
SCHEMBL10246683 0.91 JAK2 (0.61) JAK2EGFRJAK3HDAC1HDAC6
SCHEMBL10246893 0.89 JAK2 (0.64) JAK2EGFRZAP70JAK3HDAC1
SCHEMBL10246812 0.89 CDK2 (0.58) JAK2EGFRPRKD3PRKCGPRKCB
SCHEMBL10245501 0.89 PRKD3 (0.57) JAK2EGFRPRKD3PRKCGPRKCB
SCHEMBL10246390 0.89 JAK2 (0.59) JAK2EGFRZAP70JAK3HDAC1
SCHEMBL10245417 0.89 PRKD3 (0.56) JAK2EGFRPRKD3PRKCGPRKCB
SCHEMBL14755163 0.88 EGFR (0.54) JAK2EGFRPRKD3PRKCGPRKCB

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 29 patents — showing the first 20. 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-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 US disclosed
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-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 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-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-20130096115-A1 METHODS FOR TREATING AUTISM AFRAXIS, INC. (US) 2013-04-18 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
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 US 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
WO-2010071846-A2 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS, INC. (US) 2010-06-24 WO disclosed
WO-2010071846-A2 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS, INC. (US) 2010-06-24 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 (5 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-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A JAK2 3533/4885EGFR 3598/4885PRKD3 663/4885
US-20130096115-A1 METHODS FOR TREATING AUTISM PAK2, PAK3, PAK4 JAK2 3012/4885EGFR 4263/4885PRKD3 1170/4885
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 JAK2 1537/4885EGFR 4252/4885PRKD3 455/4885
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA PAK2, PAK3, PAK4 JAK2 3244/4885EGFR 3833/4885PRKD3 632/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 JAK2 1826/4885EGFR 4745/4885PRKD3 1475/4885

“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.