SCHEMBL1315631

SCHEMBL1315631

CCCCCCCCc1cc2cc(CN)ccc2n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.42
▸ GPR84 Q9NQS5 1/20 0.41
▸ PLA2G4A P47712 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ TLR8 Q9NR97 3/20 0.38
▸ OXER1 Q8TDS5 6/20 0.38
▸ SPNS2 Q8IVW8 1/20 0.37
▸ RORA P35398 1/20 0.37
▸ RORC P51449 1/20 0.37
▸ RORB Q92753 1/20 0.37
▸ SPHK1 Q9NYA1 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ESR1 P03372 1/20 0.36

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
SCHEMBL28870713 0.82 BRPF1 (0.45) HTR2AGPR84PLA2G4AMEN1KMT2A
SCHEMBL28283584 0.81 BRPF1 (0.46) GPR84PLA2G4AMEN1KMT2AHTT
SCHEMBL3699735 0.79 OXER1 (0.54) GPR84OXER1
SCHEMBL287263 0.79 OXER1 (0.54) GPR84OXER1
SCHEMBL30282852 0.79 TLR8 (0.44) GPR84PLA2G4AKDM4EMEN1HPGD
SCHEMBL3696937 0.77 OXER1 (0.54) GPR84OXER1
SCHEMBL1313567 0.76 TSHR (0.46) GPR84PLA2G4AOXER1RORCHSD17B10
SCHEMBL18067919 0.76 MEN1 (0.42) PLA2G4AKDM4EMEN1HPGDALOX15
SCHEMBL28223276 0.75 OXER1 (0.53) OXER1
SCHEMBL10988154 0.75 OXER1 (0.49) GPR84PLA2G4AMEN1KMT2AOXER1

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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 — — US disclosed
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 — — US disclosed
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 — — US disclosed
WO-2010033701-A2 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION (US) 2010-03-25 — — 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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 SPHK1, SPHK2, S1PR1 HTR2A 4137/4885GPR84 1244/4885PLA2G4A 393/4885

“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.

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