SCHEMBL3518367

SCHEMBL3518367

O=c1c(Br)c(OCc2ccccc2)ncn1CC1CCCNC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.38
ACP1 P24666 1/20 0.37
SYK P43405 1/20 0.37
KMT2A Q03164 1/20 0.36
BRD4 O60885 3/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
GHSR Q92847 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
F2 P00734 1/20 0.35
EED O75530 1/20 0.35
ACHE P22303 1/20 0.35
DRD2 P14416 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
Hydrochloric Acid SCHEMBL3525831 0.99 MAPK14 (0.38) MAPK14ACP1SYKKMT2ABRD4
SCHEMBL5269614 0.87 MAPK14 (0.41) MAPK14BRD4HTR2AHTR2CSLC6A4
Hydrochloric Acid SCHEMBL3521994 0.86 MAPK14 (0.40) MAPK14HTR2AHTR2CSLC6A4
SCHEMBL4487929 0.82 MAPK14 (0.58) MAPK14HTR2AHTR2CSLC6A4
Hydrochloric Acid SCHEMBL4385360 0.82 MAPK14 (0.57) MAPK14BRD4HTR2AHTR2CSLC6A4
SCHEMBL27683064 0.79 SMN1; SMN2 (0.38) MAPK14KMT2ABRD4HTR2AHTR2C
SCHEMBL5269438 0.79 EED (0.38) KMT2ABRD4CHRNB2CHRNA4EED
SCHEMBL27683018 0.78 BTK (0.41) MAPK14KMT2AF2ACHE
SCHEMBL3521839 0.77 HTR2A (0.46) MAPK14HTR2AHTR2CSLC6A4DRD2
SCHEMBL3522138 0.75 MAPK14 (0.44) MAPK14HTR2AHTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
EP-1753731-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS Pharmacia Corporation (US) 2007-02-21 EP disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 US disclosed
WO-2004087677-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS PHARMACIA CORPORATION (US) 2004-10-14 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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885ACP1 366/4885SYK 503/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885ACP1 277/4885SYK 796/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885ACP1 366/4885SYK 503/4885

“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.