SCHEMBL23915364

SCHEMBL23915364

N#Cc1cc2nc(Cc3n[nH]c(=O)c4ccccc34)cn2cc1OCC1CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 10/20 0.52
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.39
PARP1 P09874 4/20 0.39
TNKS O95271 1/20 0.39
PARP6 Q2NL67 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
XDH P47989 1/20 0.39
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL23909120 0.88 S1PR2 (0.67) S1PR2TSHRLMNA
SCHEMBL23914621 0.86 TSHR (0.41) S1PR2TSHRLMNAPARP1TNKS
SCHEMBL23914867 0.83 S1PR2 (0.56) S1PR2XDH
SCHEMBL23908850 0.81 S1PR2 (0.79) S1PR2TSHR
SCHEMBL23908891 0.79 S1PR2 (0.60) S1PR2XDH
SCHEMBL23913173 0.78 S1PR2 (0.55) S1PR2PRMT5WDR77
SCHEMBL23915608 0.77 S1PR2 (0.66) S1PR2CYP3A4CYP2C9CYP2C19
SCHEMBL23915607 0.77 S1PR2 (0.56) S1PR2TSHRLMNAXDH
SCHEMBL23915298 0.75 S1PR2 (0.41) S1PR2XDH
SCHEMBL23909059 0.73 S1PR2 (0.42) S1PR2XDH

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 3/4885TSHR 588/4885LMNA 449/4885

“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.