SCHEMBL67014

SCHEMBL67014

COc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 9/20 0.44
KDR P35968 9/20 0.44
AAK1 Q2M2I8 1/20 0.39
ALPL P05186 1/20 0.38
DGAT1 O75907 2/20 0.37
CSF1R P07333 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
FYN P06241 1/20 0.35
SNCA P37840 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
LPL P06858 1/20 0.33
LIPG Q9Y5X9 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
SCHEMBL15882429 0.85 PDGFRB (0.42) PDGFRBKDRAAK1DGAT1GSK3A
SCHEMBL18437068 0.84 PDGFRB (0.41) PDGFRBKDRAAK1ALPLDGAT1
SCHEMBL15882529 0.84 PDGFRB (0.41) PDGFRBKDRAAK1DGAT1CA1
SCHEMBL3515122 0.83 CSF1R (0.39) PDGFRBKDRAAK1ALPLDGAT1
SCHEMBL29555798 0.83 ALPL (0.46) PDGFRBKDRAAK1ALPLDGAT1
SCHEMBL407919 0.83 ALPL (0.46) PDGFRBKDRAAK1ALPLDGAT1
SCHEMBL67212 0.82 AAK1 (0.43) PDGFRBKDRAAK1
SCHEMBL15882535 0.82 PDGFRB (0.41) PDGFRBKDRAAK1DGAT1
SCHEMBL29599536 0.82 AAK1 (0.43) PDGFRBKDRAAK1
SCHEMBL29858100 0.82 JAK2 (0.43) PDGFRBKDRAAK1ALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011522-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2015-01-08 US claimed
US-8871754-B2 Compounds and compositions for the treatment of parasitic diseases IRM LLC (BM) 2014-10-28 US claimed
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2014-06-05 US claimed
US-20240174683-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-30 US disclosed
EP-4288437-A1 MAP4K1 INHIBITORS Bayer Aktiengesellschaft (DE) 2023-12-13 EP disclosed
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 EP disclosed
WO-2022166920-A1 PYRROLOPYRIDAZINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2022-08-11 WO disclosed
WO-2022167627-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2022-08-11 WO disclosed
EP-3268373-B1 TRICYCLIC DLK INHIBITORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2022-04-27 EP disclosed
CN-107406462-B Tricyclic DLK inhibitors and uses thereof 豪夫迈·罗氏有限公司 2020-11-10 CN disclosed
US-10227331-B2 Metallo-β-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-12 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 WO disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 WO disclosed
EP-1989201-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2008-11-12 EP disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 WO disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 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 (6 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-20150011522-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 PDGFRB 4361/4885KDR 4662/4885AAK1 3761/4885
US-20240174683-A1 MAP4K1 INHIBITORS MAP3K4, MAP4K4, MAP4K1 PDGFRB 2462/4885KDR 972/4885AAK1 161/4885
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE PIK3CA, PIK3CD, PIK3CB PDGFRB 293/4885KDR 462/4885AAK1 719/4885
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 PDGFRB 4361/4885KDR 4662/4885AAK1 3761/4885
US-10227331-B2 Metallo-β-lactamase inhibitors ALPI, GAA, ZFX PDGFRB 2566/4885KDR 4756/4885AAK1 4644/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS PDGFRB 2417/4885KDR 1094/4885AAK1 718/4885

“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.