SCHEMBL4078462

SCHEMBL4078462

c1cc2[nH][nH]c(-c3nccs3)c-2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.39
CYP2A6 P11509 1/20 0.39
METAP1 P53582 1/20 0.37
ADRA1A P35348 3/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1B P35368 1/20 0.36
ADRB2 P07550 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
CNR1 P21554 1/20 0.34
HSP90AA1 P07900 1/20 0.34
AR P10275 1/20 0.33
ADRA2A P08913 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAT2A P31153 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32

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
SCHEMBL26259560 0.71 PDPK1 (0.54) PDPK1LOXL2CYP2A6METAP1ADRA1A
SCHEMBL5692672 0.71 PDPK1 (0.64) PDPK1LOXL2CYP2A6METAP1ADRA1A
SCHEMBL1951149 0.69 PDPK1 (0.61) PDPK1LOXL2CYP2A6METAP1ADRA1A
SCHEMBL26259717 0.67 HSD17B10 (0.54) PDPK1LOXL2CYP2A6METAP1ADRA1A
SCHEMBL422977 0.67 PDPK1 (0.48) PDPK1LOXL2CYP2A6METAP1ADRA1A
SCHEMBL10459362 0.67 PDPK1 (0.53) PDPK1LOXL2CYP2A6METAP1ADRA1A
SCHEMBL102331 0.65 PDPK1 (0.59) PDPK1LOXL2CYP2A6METAP1ADRB2
SCHEMBL8567274 0.64 PDPK1 (0.55) PDPK1LOXL2CYP2A6ADRA1AADRA1D
SCHEMBL6067988 0.64 PDPK1 (0.50) PDPK1LOXL2CYP2A6METAP1ADRB2
SCHEMBL11211014 0.64 PDPK1 (0.46) PDPK1LOXL2CYP2A6ADRA1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101460167-A Thiazolyldihydrocyclopentapyrazoles for use as PI3-kinase inhibitors BOEHRINGER INGELHEIM INT (DE) 2009-06-17 CN disclosed
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
EP-2007382-A1 THIAZOLYLDIHYDROCYCLOPENTAPYRAZOLES FOR USE AS PI3-KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
EP-2007382-A1 THIAZOLYLDIHYDROCYCLOPENTAPYRAZOLES FOR USE AS PI3-KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
WO-2007115931-A8 THIAZOLYLDIHYDROCYCLOPENTAPYRAZOLES FOR USE AS PI3-KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2008-06-12 WO disclosed
WO-2007115931-A1 THIAZOLYLDIHYDROCYCLOPENTAPYRAZOLES FOR USE AS PI3-KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
WO-2007115931-A1 THIAZOLYLDIHYDROCYCLOPENTAPYRAZOLES FOR USE AS PI3-KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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 (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-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE REN, ROR1, RORB PDPK1 2062/4885LOXL2 4548/4885CYP2A6 297/4885

“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.