SCHEMBL1127770

SCHEMBL1127770

O=C(Nc1ccccc1)OCCC#Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.71
MAPK11 Q15759 3/20 0.43
MAP4K4 O95819 1/20 0.43
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRNA7 P36544 1/20 0.42
ROCK2 O75116 1/20 0.38
POLB P06746 1/20 0.38
FAAH O00519 1/20 0.38
BCHE P06276 1/20 0.37
MAPK10 P53779 1/20 0.37
MGLL Q99685 1/20 0.37
MAPK13 O15264 2/20 0.37
MAPK12 P53778 2/20 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
SCHEMBL7144416 0.89 MAPK14 (0.75) MAPK14MAPK11MAP4K4SMN1; SMN2FAAH
SCHEMBL5997822 0.88 MAPK14 (0.74) MAPK14MAPK11MAP4K4SMN1; SMN2FAAH
SCHEMBL5998654 0.84 MAPK14 (0.87) MAPK14MAPK11MAP4K4MAPK10MAPK13
Rwj-67657 SCHEMBL162010 0.83 MAPK14 (1.00) MAPK14MAPK11MAP4K4MAPK10MAPK13
SCHEMBL12856400 0.83 MAPK14 (1.00) MAPK14MAPK11MAP4K4MAPK10MAPK13
SCHEMBL5999009 0.82 MAPK14 (0.91) MAPK14MAPK11MAP4K4MAPK10MAPK13
Rwj-67657 SCHEMBL5815060 0.82 MAPK14 (0.98) MAPK14MAPK11MAP4K4MAPK10MAPK13
SCHEMBL7145536 0.82 MAPK14 (0.89) MAPK14MAPK11MAP4K4MAPK10MAPK13
SCHEMBL7141213 0.81 MAPK14 (0.82) MAPK14MAPK11MAP4K4MAPK10MAPK13
SCHEMBL13035057 0.81 MAPK14 (0.82) MAPK14MAPK11MAP4K4MAPK10MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127723-A1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH, INC. (US) 2018-05-10 US disclosed
EP-2664669-B1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH INC (US) 2017-12-27 EP disclosed
US-9845460-B2 Treatment of pluripotent cells JANSSEN BIOTECH, INC. (US) 2017-12-19 US disclosed
US-20140080210-A1 Treatment of Pluripotent Cells JANSSEN BIOTECH, INC. (US) 2014-03-20 US disclosed
US-8623648-B2 Treatment of pluripotent cells JANSSEN BIOTECH, INC. (US) 2014-01-07 US disclosed
EP-2664669-A1 Treatment of pluripotent cells Janssen Biotech, Inc. (US) 2013-11-20 EP disclosed
EP-2283114-A2 TREATMENT OF PLURIPOTENT CELLS Centocor Ortho Biotech Inc. (US) 2011-02-16 EP disclosed
US-20090325293-A1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH, INC. 2009-12-31 US disclosed
WO-2009132068-A2 TREATMENT OF PLURIPOTENT CELLS CENTOCOR ORTHO BIOTECH INC. (US) 2009-10-29 WO disclosed
EP-1028954-B1 SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES ORTHO MCNEIL PHARM INC (US) 2003-07-02 EP 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-20180127723-A1 TREATMENT OF PLURIPOTENT CELLS GSK3B, GSK3A, GSKIP MAPK14 2384/4885MAPK11 3117/4885MAP4K4 915/4885

“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.