SCHEMBL3601617

SCHEMBL3601617

O=c1[nH][nH]c(=O)c2[nH]cnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.52
ALDH1A1 P00352 1/20 0.50
PNP P00491 4/20 0.42
ACHE P22303 1/20 0.42
GDA Q9Y2T3 1/20 0.42
CSNK2A1 P68400 3/20 0.41
CSNK2A2 P19784 2/20 0.41
DYRK1A Q13627 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
CSNK2B P67870 1/20 0.41
KMT2A Q03164 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
PARP1 P09874 5/20 0.37
BCL2 P10415 1/20 0.37
MCL1 Q07820 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
PRKD3 O94806 1/20 0.37

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
SCHEMBL21440777 0.74 ALDH1A1 (0.54) PDPK1ALDH1A1PNPACHEGDA
SCHEMBL5747328 0.74 PDPK1 (0.46) PDPK1ALDH1A1PNPACHEGDA
SCHEMBL824416 0.70 CSNK2A1 (0.55) PDPK1ALDH1A1ACHEGDACSNK2A1
SCHEMBL16475170 0.70 PDPK1 (0.50) PDPK1ALDH1A1PNPCSNK2A1CSNK2A2
SCHEMBL2515712 0.69 PDPK1 (1.00) PDPK1ALDH1A1PNPACHEGDA
SCHEMBL12846133 0.67 PDPK1 (0.36) PDPK1ALDH1A1PNPPARP1
SCHEMBL9881668 0.67 PDPK1 (0.47) PDPK1ALDH1A1
Hypoxanthine SCHEMBL30096461 0.67 ALDH1A1 (1.00) PDPK1ALDH1A1PNPACHEGDA
Hypoxanthine SCHEMBL7037918 0.67 ALDH1A1 (1.00) PDPK1ALDH1A1PNPACHEGDA
Hypoxanthine SCHEMBL25381 0.67 ALDH1A1 (1.00) PDPK1ALDH1A1PNPACHEGDA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137162-B1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2018-08-01 EP disclosed
EP-2137162-B1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2018-08-01 EP disclosed
WO-2014008355-A1 HYDROCARBON SYNTHESIS METHODS, APPARATUS, AND SYSTEMS MCNEFF CLAYTON V (US) 2014-01-09 WO disclosed
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 US disclosed
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 US disclosed
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 US disclosed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 US disclosed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 US disclosed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 US disclosed
EP-2137162-A1 ORGANIC COMPOUNDS AND THEIR USES Novartis Ag (CH) 2009-12-30 EP disclosed
WO-2008110611-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2008-09-18 WO disclosed
WO-2008110611-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2008-09-18 WO disclosed
EP-1763530-A1 IMIDAZOPYRIDAZINE DIONES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT Boehringer Ingelheim International GmbH (DE) 2007-03-21 EP disclosed
WO-2005087774-A1 IMIDAZOPYRIDAZINE DIONES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 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-20100069368-A1 Organic Compounds and Their Uses SHH, GLI1, VHL PDPK1 867/4885ALDH1A1 71/4885PNP 3726/4885

“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.