SCHEMBL23914857

SCHEMBL23914857

COCCOc1cc2nc(Cc3nn(C4CCN(C(=O)OC(C)(C)C)C4)c(=O)c4ccccc34)[nH]c2cc1C#N

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 8/20 0.43
NSD2 O96028 2/20 0.36
EHMT2 Q96KQ7 1/20 0.36
PIK3CD O00329 1/20 0.35
TBK1 Q9UHD2 2/20 0.35
TNF P01375 2/20 0.35
LITAF Q99732 2/20 0.35
RET P07949 1/20 0.35
PIK3CA P42336 1/20 0.35
BTK Q06187 1/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 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
SCHEMBL23915581 0.91 S1PR2 (0.49) S1PR2NSD2PIK3CDTBK1TNF
SCHEMBL23915580 0.90 S1PR2 (0.52) S1PR2TNFLITAFPIK3CA
SCHEMBL23915477 0.86 S1PR2 (0.52) S1PR2NSD2TBK1RET
SCHEMBL23908870 0.84 S1PR2 (0.44) S1PR2
SCHEMBL23914714 0.82 S1PR2 (0.60) S1PR2TNFLITAFBTK
SCHEMBL23909045 0.79 S1PR2 (0.51) S1PR2
SCHEMBL23966544 0.77 S1PR2 (0.62) S1PR2TNKSTNKS2
SCHEMBL23908838 0.77 S1PR2 (0.58) S1PR2TNKS
SCHEMBL23908965 0.76 S1PR2 (0.69) S1PR2
SCHEMBL23909036 0.74 S1PR2 (0.57) S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 S1PR2 3/4885NSD2 3748/4885EHMT2 3611/4885

“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.