SCHEMBL1554933

SCHEMBL1554933

COc1cc(Nc2nccc(-c3ccc(NCCN)nc3)n2)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 13/20 1.00
PRKD3 O94806 4/20 1.00
PRKCG P05129 4/20 1.00
PRKCB P05771 4/20 1.00
LCK P06239 4/20 1.00
PRKCA P17252 4/20 1.00
PRKCH P24723 4/20 1.00
PRKCI P41743 4/20 1.00
PRKCE Q02156 4/20 1.00
PRKCQ Q04759 4/20 1.00
PRKCZ Q05513 4/20 1.00
PRKCD Q05655 4/20 1.00
PRKD1 Q15139 4/20 1.00
EGFR P00533 3/20 1.00
CDK2 P24941 3/20 0.61
JAK2 O60674 1/20 0.61
PIK3CA P42336 1/20 0.61
PIK3CB P42338 1/20 0.61
PIK3CG P48736 1/20 0.61
PTK2B Q14289 1/20 0.61

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
SCHEMBL6975686 0.94 ZAP70 (0.89) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6970246 0.93 ZAP70 (0.87) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL12676575 0.92 ZAP70 (0.85) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6975402 0.90 ZAP70 (0.82) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6974678 0.88 ZAP70 (0.79) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6981299 0.88 ZAP70 (0.79) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6976832 0.87 ZAP70 (0.78) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6980078 0.87 ZAP70 (0.76) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6975758 0.86 ZAP70 (0.75) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6974347 0.85 ZAP70 (0.74) ZAP70PRKD3PRKCGPRKCBLCK

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US claimed
EP-1786781-A2 PYRIMIDINE DERIVATIVES GPC Biotech AG (DE) 2007-05-23 EP claimed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 WO claimed
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-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
EP-2485733-A2 METHODS FOR TREATING ALZHEIMER'S DISEASE Afraxis, Inc. (US) 2012-08-15 EP 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
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US disclosed
EP-1786781-A2 PYRIMIDINE DERIVATIVES GPC Biotech AG (DE) 2007-05-23 EP disclosed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 WO disclosed
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 EP disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 US 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 ZAP70 1818/4885PRKD3 514/4885PRKCG 87/4885
US-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP ZAP70 275/4885PRKD3 1034/4885PRKCG 2511/4885
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A ZAP70 882/4885PRKD3 663/4885PRKCG 232/4885
US-20130096115-A1 METHODS FOR TREATING AUTISM PAK2, PAK3, PAK4 ZAP70 1543/4885PRKD3 1170/4885PRKCG 230/4885
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 ZAP70 1049/4885PRKD3 455/4885PRKCG 547/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 ZAP70 2150/4885PRKD3 1475/4885PRKCG 207/4885
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT CHAT, PSEN2, PAK2 ZAP70 3011/4885PRKD3 433/4885PRKCG 64/4885

“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.