SCHEMBL429388

SCHEMBL429388

CN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.39
LMNA P02545 3/20 0.39
XDH P47989 1/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
CDC42BPB Q9Y5S2 2/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 5/20 0.36
MAPT P10636 4/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ESR2 Q92731 1/20 0.36
USP2 O75604 1/20 0.36
CLK1 P49759 1/20 0.36
CDC42BPA Q5VT25 1/20 0.36
HTR7 P34969 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL459256 0.89 ALDH1A1 (0.48) GAALMNAALDH1A1KDM4EMAPT
SCHEMBL426180 0.87 MAPK1 (0.46) GAALMNAXDHROCK2ROCK1
SCHEMBL28509985 0.86 GAA (0.45) GAALMNAALDH1A1MAPTHSD17B10
SCHEMBL430134 0.86 ESR2 (0.36) GAALMNAALDH1A1KDM4EMAPT
SCHEMBL427905 0.86 LMNA (0.45) GAALMNAALDH1A1KDM4EMAPT
SCHEMBL426688 0.84 LMNA (0.58) GAALMNAROCK1ALDH1A1KDM4E
SCHEMBL427904 0.84 LMNA (0.37) GAALMNAROCK1ALDH1A1MAPT
SCHEMBL3753301 0.84 ALDH1A1 (0.39) GAALMNAALDH1A1KDM4EMAPT
SCHEMBL29554269 0.82 MAPT (0.40) GAAROCK1ALDH1A1KDM4EMAPT
SCHEMBL31485111 0.82 KDM4E (0.50) GAAROCK1ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 EP disclosed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 WO disclosed
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed
US-9745311-B2 Substituted pyrrolo[2,3-b]pyrazines as FGFR inhibitors INCYTE CORPORATION (US) 2017-08-29 US disclosed
US-9745311-B2 Substituted pyrrolo[2,3-b]pyrazines as FGFR inhibitors INCYTE CORPORATION (US) 2017-08-29 US disclosed
US-9745311-B2 Substituted pyrrolo[2,3-b]pyrazines as FGFR inhibitors INCYTE CORPORATION (US) 2017-08-29 US disclosed
US-20160280713-A1 PYRAZINE DERIVATIVES AS FGFR INHIBITORS INCYTE CORPORATION 2016-09-29 US disclosed
US-20160280713-A1 PYRAZINE DERIVATIVES AS FGFR INHIBITORS INCYTE CORPORATION 2016-09-29 US disclosed
US-20160280713-A1 PYRAZINE DERIVATIVES AS FGFR INHIBITORS INCYTE CORPORATION 2016-09-29 US disclosed
US-9388185-B2 Substituted pyrrolo[2,3-b]pyrazines as FGFR inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-07-12 US disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 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 (3 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-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 GAA 706/4885LMNA 3998/4885XDH 781/4885
US-20160280713-A1 PYRAZINE DERIVATIVES AS FGFR INHIBITORS FGFR1, FGFR2, FGFR3 GAA 1066/4885LMNA 4755/4885XDH 1914/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 GAA 706/4885LMNA 3998/4885XDH 781/4885

“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.