SCHEMBL5065334

SCHEMBL5065334

Clc1[c]cccc1-c1nccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.39
CYP2A6 P11509 1/20 0.39
METAP1 P53582 1/20 0.37
CYP19A1 P11511 2/20 0.36
ADRA1A P35348 3/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1B P35368 1/20 0.36
CASP6 P55212 1/20 0.36
ADRB2 P07550 1/20 0.36
RAB9A P51151 1/20 0.36
ADRA2A P08913 1/20 0.35
HSP90AA1 P07900 1/20 0.34
CYP1A1 P04798 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP1B1 Q16678 2/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33

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
SCHEMBL8239243 0.79 PDPK1 (0.43) PDPK1ADORA2AADORA1LOXL2CYP2A6
SCHEMBL9408188 0.76 PDPK1 (0.43) PDPK1ADORA2AADORA1LOXL2CYP2A6
SCHEMBL27812190 0.76 PDPK1 (0.40) PDPK1ADORA2AADORA1LOXL2CYP2A6
SCHEMBL7110942 0.76 PDPK1 (0.40) PDPK1ADORA2AADORA1LOXL2CYP2A6
SCHEMBL5692672 0.75 PDPK1 (0.64) PDPK1ADORA2AADORA1LOXL2CYP2A6
SCHEMBL30457805 0.74 PDPK1 (0.53) PDPK1ADORA2AADORA1CYP2A6CYP19A1
SCHEMBL1565328 0.74 PDPK1 (0.53) PDPK1ADORA2AADORA1CYP2A6CYP19A1
SCHEMBL1951149 0.73 PDPK1 (0.61) PDPK1ADORA2AADORA1LOXL2CYP2A6
SCHEMBL8313758 0.72 PDE10A (0.47) ADORA2AADORA1CYP2A6CYP19A1ADRA1A
SCHEMBL28487238 0.72 PDPK1 (0.52) PDPK1ADORA2AADORA1LOXL2CYP2A6

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP claimed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US claimed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO claimed
US-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 US disclosed
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP disclosed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US disclosed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO disclosed
EP-0968194-A1 ATROPISOMERS OF 3-ARYL-4(3H)-QUINAZOLINONES AND THEIR USE AS AMPA-RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2000-01-05 EP disclosed
EP-0901487-A1 NOVEL 2,3 DISUBSTITUTED-4(3H)-QUINAZOLINONES PFIZER INC. (US) 1999-03-17 EP disclosed
WO-1998038173-A1 ATROPISOMERS OF 3-ARYL-4(3H)-QUINAZOLINONES AND THEIR USE AS AMPA-RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 1998-09-03 WO disclosed
WO-1997043276-A1 NOVEL 2,3 DISUBSTITUTED-4(3H)-QUINAZOLINONES PFIZER INC. (US) 1997-11-20 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 (2 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-20080090782-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 PDPK1 99/4885ADORA2A 1787/4885ADORA1 3651/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 PDPK1 99/4885ADORA2A 1787/4885ADORA1 3651/4885

“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.