SCHEMBL609202

SCHEMBL609202

c1cc(-c2ccc(N3CCNCC3)nc2)nc(Nc2ccc3ncsc3c2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 17/20 0.69
CHUK O15111 8/20 0.69
ZAP70 P43403 2/20 0.61
PRKD3 O94806 1/20 0.61
EGFR P00533 1/20 0.61
PRKCG P05129 1/20 0.61
PRKCB P05771 1/20 0.61
LCK P06239 1/20 0.61
PRKCA P17252 1/20 0.61
PRKCH P24723 1/20 0.61
PRKCI P41743 1/20 0.61
PRKCE Q02156 1/20 0.61
PRKCQ Q04759 1/20 0.61
PRKCZ Q05513 1/20 0.61
PRKCD Q05655 1/20 0.61
PRKD1 Q15139 1/20 0.61
MYLK4 Q86YV6 1/20 0.59
CLK4 Q9HAZ1 1/20 0.59
STK17A Q9UEE5 1/20 0.59
TBK1 Q9UHD2 1/20 0.59

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 SCHEMBL8140829 0.99 IKBKB (0.68) IKBKBCHUKZAP70PRKD3EGFR
SCHEMBL8146801 0.83 ZAP70 (0.59) IKBKBCHUKZAP70PRKD3EGFR
SCHEMBL8154028 0.83 ZAP70 (0.62) IKBKBCHUKZAP70PRKD3EGFR
SCHEMBL8139875 0.83 ZAP70 (0.62) IKBKBCHUKZAP70PRKD3EGFR
SCHEMBL6956423 0.82 ZAP70 (0.68) IKBKBCHUKZAP70PRKD3EGFR
SCHEMBL6955195 0.81 ZAP70 (0.67) IKBKBCHUKZAP70PRKD3EGFR
SCHEMBL8148275 0.81 ZAP70 (0.62) IKBKBCHUKZAP70PRKD3EGFR
SCHEMBL6951420 0.80 ZAP70 (0.66) IKBKBCHUKZAP70PRKD3EGFR
SCHEMBL6950853 0.80 ZAP70 (0.66) IKBKBCHUKZAP70PRKD3EGFR
SCHEMBL6955286 0.80 ZAP70 (0.66) IKBKBCHUKZAP70PRKD3EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005037259-A2 METHODS AND COMPOSITIONS FOR THE PREVENTION OR TREATMENT OF NEOPLASIA COMPRISING A COX-2 INHIBITOR IN COMBINATION WITH AN EPIDERMAL GROWTH FACTOR RECEPTOR ANTAGONIST PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
US-20040127470-A1 Methods and compositions for the prevention or treatment of neoplasia comprising a Cox-2 inhibitor in combination with an epidermal growth factor receptor antagonist PHARMACIA CORPORATION (US) 2004-07-01 US claimed
US-6093716-A Substituted 2-pyrimidineamines and processes for their preparation CELLTECH THERAPEUTICS, LIMITED (GB) 2000-07-25 US claimed
EP-0929549-A1 SUBSTITUTED 2-PYRIMIDINEAMINES, THEIR PREPARATION AND THEIR USE AS PROTEINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1999-07-21 EP claimed
WO-1998011095-A1 SUBSTITUTED 2-PYRIMIDINEAMINES, THEIR PREPARATION AND THEIR USE AS PROTEINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-03-19 WO claimed
US-9353218-B2 Kit for multifunctional compounds forming crosslinked biomaterials ANGIOTECH PHARMACEUTICALS, INC. 2016-05-31 US disclosed
US-9326934-B2 Drug delivery from rapid gelling polymer composition ANGIOTECH INTERNATIONAL AG 2016-05-03 US disclosed
EP-2181704-B1 Drug delivery from rapid gelling polymer composition ANGIOTECH INT AG (CH) 2015-05-06 EP disclosed
CN-104174071-A COMPOSITIONS AND SYSTEMS FOR FORMING CROSSLINKED BIOMATERIALS AND ASSOCIATED METHODS OF PREPARATION AND USE ANGIODEVICE INTERNAT GMBH 2014-12-03 CN disclosed
US-20130289235-A1 MULTIFUNCTIONAL COMPOUNDS FOR FORMING CROSSLINKED BIOMATERIALS AND METHODS OF PREPARATION AND USE ANGIOTECH PHARMACEUTICALS, INC. (CA) 2013-10-31 US disclosed
US-8486437-B2 Multifunctional compounds for forming crosslinked biomaterials and methods of preparation and use ANGIOTECH PHARMACEUTICALS (US), INC. (US) 2013-07-16 US disclosed
US-8481073-B2 Compositions and systems for forming crosslinked biomaterials and associated methods of preparation and use ANGIODEVICE INTERNATIONAL GMBH (CH) 2013-07-09 US disclosed
WO-2005018683-A2 ANASTOMOTIC CONNECTOR DEVICES ANGIOTECH INTERNATIONAL AG (CH) 2005-03-03 WO disclosed
US-20040260318-A1 Anastomotic connector devices ANGIOTECH INTERNATIONAL AG (CH) 2004-12-23 US disclosed
US-20040225077-A1 Drug delivery from rapid gelling polymer composition ANGIOTECH INTERNATIONAL AG (CH) 2004-11-11 US disclosed
WO-2004060346-A2 DRUG DELIVERY FROM RAPID GELLING POLYMER COMPOSITION ANGIOTECH INTERNATIONAL AG (CH) 2004-07-22 WO disclosed
WO-2004060405-A2 TISSUE REACTIVE COMPOUNDS AND COMPOSITIONS AND USES THEREOF ANGIOTECH INTERNATIONAL AG (CH) 2004-07-22 WO disclosed
US-6093716-A Substituted 2-pyrimidineamines and processes for their preparation CELLTECH THERAPEUTICS, LIMITED (GB) 2000-07-25 US disclosed
EP-0929549-A1 SUBSTITUTED 2-PYRIMIDINEAMINES, THEIR PREPARATION AND THEIR USE AS PROTEINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1999-07-21 EP disclosed
WO-1998011095-A1 SUBSTITUTED 2-PYRIMIDINEAMINES, THEIR PREPARATION AND THEIR USE AS PROTEINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-03-19 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 (1 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-20040127470-A1 Methods and compositions for the prevention or treatment of neoplasia comprising a Cox-2 inhibitor in combination with an epidermal growth factor receptor antagonist EGFR, PTGFR, ERBB2 IKBKB 143/4885CHUK 37/4885ZAP70 2917/4885

“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.