SCHEMBL6513811

SCHEMBL6513811

Cc1ccc(C(N)c2ccccc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.48
S1PR4 O95977 1/20 0.48
S1PR3 Q99500 1/20 0.48
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DPP4 P27487 2/20 0.37
F2 P00734 1/20 0.37
ADRA2A P08913 3/20 0.36
ADRA2C P18825 3/20 0.36
ADRA2B P18089 2/20 0.36
KDR P35968 1/20 0.36
LMNA P02545 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PLAU P00749 1/20 0.34

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
SCHEMBL23609159 0.82 S1PR3 (0.48) S1PR2S1PR4S1PR3NOS3NOS2
SCHEMBL11479968 0.79 S1PR3 (0.34) S1PR2S1PR4S1PR3NOS3NOS2
Hydrochloric Acid SCHEMBL32665301 0.79 ALDH1A1 (0.39) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL6505891 0.76 NOS2 (0.42) NOS3NOS2CCR1CCR5CCR8
SCHEMBL19445223 0.76 NOS3 (0.50) S1PR2S1PR4S1PR3NOS3NOS2
SCHEMBL23716432 0.75 S1PR3 (0.52) S1PR2S1PR4S1PR3
SCHEMBL14480105 0.74 NOS3 (0.48) S1PR2S1PR4S1PR3NOS3NOS2
SCHEMBL5666361 0.74 NOS3 (0.48) S1PR2S1PR4S1PR3NOS3NOS2
SCHEMBL31482165 0.74 NOS3 (0.48) S1PR2S1PR4S1PR3NOS3NOS2
SCHEMBL30320133 0.74 NOS3 (0.48) S1PR2S1PR4S1PR3NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155419-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-06-05 US disclosed
EP-2736329-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2014-06-04 EP disclosed
WO-2013019621-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 WO disclosed
WO-2005023794-A2 COMPOUND LIBRARIES OF 4-CARBOXAMIDOPIPERIDINE DERIVATIVES BIOFOCUS PLC (GB) 2005-03-17 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-20140155419-A1 COMPOUNDS AND METHODS RORC, RORB, RORA S1PR2 343/4885S1PR4 366/4885S1PR3 291/4885

“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.