SCHEMBL5137587

SCHEMBL5137587

CCCCn1c(CN(Cc2ccccc2)Cc2ccc(O)cc2Cl)cnc1-c1cccc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ICMT O60725 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
ACKR3 P25106 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
TSHR P16473 2/20 0.33
NR1H2 P55055 2/20 0.32
BCHE P06276 1/20 0.32
NR1H3 Q13133 1/20 0.32
CNR2 P34972 1/20 0.32
MAOB P27338 1/20 0.32
P2RX7 Q99572 1/20 0.31

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
SCHEMBL5135509 0.92 TSHR (0.38) PDK1MEN1KMT2ATSHR
SCHEMBL14415666 0.92 TSHR (0.33) PDK1MEN1KMT2ATLR7TSHR
SCHEMBL5134757 0.91 ICMT (0.35) MEN1KMT2AICMTLTB4R2BCHE
SCHEMBL5135803 0.89 NR1H2 (0.39) TLR7TSHRNR1H2NR1H3P2RX7
SCHEMBL5136002 0.89 TLR7 (0.38) MEN1KMT2ATLR7BCHENR1H3
SCHEMBL5135432 0.87 MEN1 (0.36) MEN1KMT2AICMTTLR7TSHR
SCHEMBL5135873 0.87 TSHR (0.35) MEN1KMT2ATSHR
SCHEMBL5134901 0.87 MEN1 (0.37) MEN1KMT2AICMTMAOBP2RX7
SCHEMBL4770835 0.84 TSHR (0.39) MEN1KMT2AICMTTSHR
SCHEMBL5136271 0.84 MEN1 (0.37) PDK1MEN1KMT2ALTB4R2UBE2M

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
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-20070027158-A1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION 2007-02-01 US disclosed
US-20070027158-A1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION 2007-02-01 US disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 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-20070027158-A1 High affinity small molecule C5a receptor modulators C3AR1, C5AR1, C5AR2 PDK1 4259/4885MEN1 4152/4885KMT2A 4117/4885

“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.