SCHEMBL10245501

SCHEMBL10245501

CN1CCN(c2cccc(Nc3nccc(-c4ccc(NCCN)nc4)n3)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 2/20 0.57
LCK P06239 2/20 0.57
ZAP70 P43403 2/20 0.57
EGFR P00533 2/20 0.57
PRKCG P05129 1/20 0.57
PRKCB P05771 1/20 0.57
PRKCA P17252 1/20 0.57
PRKCH P24723 1/20 0.57
PRKCI P41743 1/20 0.57
PRKCE Q02156 1/20 0.57
PRKCQ Q04759 1/20 0.57
PRKCZ Q05513 1/20 0.57
PRKCD Q05655 1/20 0.57
PRKD1 Q15139 1/20 0.57
CSNK2A1 P68400 1/20 0.54
FLT3 P36888 4/20 0.54
CDK2 P24941 3/20 0.54
CCNE1 P24864 2/20 0.54
CDK1 P06493 1/20 0.54
CCNB1 P14635 1/20 0.54

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
SCHEMBL659614 0.89 JAK2 (0.61) PRKD3LCKZAP70EGFRPRKCG
Hydrochloric Acid SCHEMBL660445 0.88 JAK2 (0.60) PRKD3LCKZAP70EGFRPRKCG
SCHEMBL10246479 0.85 EGFR (0.56) PRKD3LCKZAP70EGFRPRKCG
SCHEMBL10245614 0.85 PRKD3 (0.56) PRKD3LCKZAP70EGFRPRKCG
SCHEMBL10192761 0.84 JAK2 (0.59) PRKD3LCKZAP70EGFRPRKCG
SCHEMBL18412551 0.83 JAK2 (0.49) PRKD3LCKZAP70EGFRPRKCG
SCHEMBL17152841 0.81 JAK2 (0.48) PRKD3LCKZAP70EGFRPRKCG
SCHEMBL10245770 0.81 JAK2 (0.62) EGFRCDK2CCNE1JAK2KDR
SCHEMBL10246683 0.80 JAK2 (0.61) EGFRCDK2CCNE1JAK2KDR
SCHEMBL10246812 0.79 CDK2 (0.58) PRKD3LCKZAP70EGFRPRKCG

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 PRKD3 514/4885LCK 709/4885ZAP70 1818/4885
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A PRKD3 663/4885LCK 1239/4885ZAP70 882/4885
US-20130096115-A1 METHODS FOR TREATING AUTISM PAK2, PAK3, PAK4 PRKD3 1170/4885LCK 1214/4885ZAP70 1543/4885
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 PRKD3 455/4885LCK 1034/4885ZAP70 1049/4885
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA PAK2, PAK3, PAK4 PRKD3 632/4885LCK 926/4885ZAP70 631/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 PRKD3 1475/4885LCK 1369/4885ZAP70 2150/4885
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT CHAT, PSEN2, PAK2 PRKD3 433/4885LCK 2062/4885ZAP70 3011/4885

“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.