SCHEMBL4078464

SCHEMBL4078464

c1cc2c[nH]n(-c3nccs3)c-2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC11A2 P49281 1/20 0.45
HSD17B10 Q99714 1/20 0.37
PDPK1 O15530 1/20 0.37
LMNA P02545 2/20 0.36
GLA P06280 1/20 0.36
SLC6A7 Q99884 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
G6PD P11413 1/20 0.34
PKM P14618 1/20 0.34
MPI P34949 1/20 0.34
EP300 Q09472 1/20 0.34
KAT2A Q92830 1/20 0.34
KAT2B Q92831 1/20 0.34
MEN1 O00255 2/20 0.34
CYP2A6 P11509 1/20 0.33
DRD2 P14416 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
SCHEMBL8115803 0.65 SLC11A2 (0.48) SLC11A2HSD17B10LMNAGLATDP1
SCHEMBL1245039 0.63 LMNA (0.46) SLC11A2HSD17B10PDPK1LMNAGLA
SCHEMBL8414962 0.57 KDM4E (0.43) SLC11A2HSD17B10PDPK1LMNAGLA
SCHEMBL15805858 0.57 PDPK1 (0.72) PDPK1CYP2A6KDR
SCHEMBL4870334 0.56 KDM4E (0.49) HSD17B10PDPK1LMNAGLATDP1
SCHEMBL29102030 0.56
SCHEMBL29261700 0.56 KDM4E (0.42) SLC11A2HSD17B10LMNAGLATDP1
SCHEMBL12349896 0.55 LMNA (0.58) SLC11A2HSD17B10LMNAGLATDP1
SCHEMBL29204149 0.55 HSD17B10 (0.73) SLC11A2HSD17B10LMNATDP1KDM4E
SCHEMBL30486192 0.55 HSD17B10 (0.73) SLC11A2HSD17B10LMNATDP1KDM4E

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
CN-101460167-A Thiazolyldihydrocyclopentapyrazoles for use as PI3-kinase inhibitors BOEHRINGER INGELHEIM INT (DE) 2009-06-17 CN disclosed
CN-101460167-A Thiazolyldihydrocyclopentapyrazoles for use as PI3-kinase inhibitors BOEHRINGER INGELHEIM INT (DE) 2009-06-17 CN disclosed
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 SLC11A2 3819/4885HSD17B10 1509/4885PDPK1 2062/4885

“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.