SCHEMBL10144490

SCHEMBL10144490

COc1cc(C(=O)NC2CCNCC2)ccc1N

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.61
SMYD3 Q9H7B4 4/20 0.53
MAPK1 P28482 1/20 0.52
OPRK1 P41145 1/20 0.52
HPGDS O60760 1/20 0.51
KHK P50053 1/20 0.49
PTK2 Q05397 3/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALPL P05186 1/20 0.47
PKM P14618 1/20 0.47
TOP2A P11388 1/20 0.47

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
SCHEMBL13880649 0.96 MAPK1 (0.58) HTR4SMYD3MAPK1OPRK1HPGDS
SCHEMBL13261136 0.92 MAPK1 (0.62) HTR4SMYD3MAPK1OPRK1HPGDS
SCHEMBL13575605 0.92 MAPK1 (0.62) HTR4SMYD3MAPK1OPRK1HPGDS
SCHEMBL29530960 0.92 MAPK1 (0.62) HTR4SMYD3MAPK1OPRK1HPGDS
SCHEMBL2546256 0.92 MAPK14 (0.52) HTR4SMYD3MAPK1OPRK1HPGDS
SCHEMBL1927002 0.91 KMT2A (0.54) HTR4MAPK1OPRK1MEN1KMT2A
SCHEMBL12825174 0.91 KMT2A (0.57) MAPK1OPRK1MEN1KMT2AALPL
SCHEMBL1926980 0.89 KMT2A (0.59) MEN1KMT2AALPL
SCHEMBL13880856 0.88 MAPK1 (0.56) HTR4MAPK1OPRK1KHKMEN1
SCHEMBL13575620 0.88 HPGD (0.51) HTR4SMYD3HPGDSKHKPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478539-B Novel DCLK1 inhibitor and preparation method and application thereof 中国人民解放军海军军医大学 2024-02-02 CN disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023018238-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
CN-114478539-A Novel DCLK1 inhibitor and preparation method and application thereof 中国人民解放军海军军医大学 2022-05-13 CN disclosed
US-20160347750-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-12-01 US disclosed
EP-2610256-A1 Pyrimidine derivatives as protein kinase inhibitors Cyclacel Limited (GB) 2013-07-03 EP disclosed
EP-2564850-A1 Polo-like kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
EP-2079743-B1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2012-01-25 EP disclosed
EP-1983987-B1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2010-09-01 EP disclosed
WO-2009153197-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES AS PLKL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
WO-2009141575-A1 INHIBITORS OF PLK CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 WO disclosed
WO-2009130453-A1 INHIBITORS OF PLK CHROMA THERAPEUTICS LTD. (GB) 2009-10-29 WO disclosed
WO-2009067547-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 WO disclosed
WO-2009040556-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2009-04-02 WO disclosed
WO-2009042711-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO disclosed
WO-2008050096-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2008-05-02 WO disclosed
WO-2008050078-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2008-05-02 WO disclosed
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
WO-2007095188-A2 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 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 (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-20160347750-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 HTR4 4435/4885SMYD3 2868/4885MAPK1 2793/4885

“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.