SCHEMBL18083728

SCHEMBL18083728

O=C(Nc1ccc(CO)nc1)c1ccccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 3/20 0.53
▸ KCNK9 Q9NPC2 3/20 0.53
▸ PTGS1 P23219 1/20 0.51
▸ PTPRC P08575 1/20 0.51
▸ SGMS2 Q8NHU3 1/20 0.51
▸ ABL1 P00519 1/20 0.50
▸ SRC P12931 1/20 0.50
▸ PTGES O14684 3/20 0.49
▸ F2R P25116 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.47
▸ S1PR1 P21453 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ AURKB Q96GD4 1/20 0.47
▸ P4HTM Q9NXG6 1/20 0.45
▸ YTHDC1 Q96MU7 1/20 0.45

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
SCHEMBL27905928 0.80 SMN1; SMN2 (0.58) LMNAGAA
SCHEMBL18083787 0.80 CHRM3 (0.52) KCNK3KCNK9PTGS1PTPRCSGMS2
SCHEMBL18083727 0.78 LMNA (0.50) KCNK3KCNK9PTGS1PTPRCPTGES
SCHEMBL21022150 0.78 LMNA (0.66) KCNK3KCNK9PTGS1PTPRCPTGES
SCHEMBL18083713 0.78 ABL1 (0.62) KCNK3KCNK9PTGS1PTPRCSGMS2
SCHEMBL5332281 0.76 KCNK3 (0.75) KCNK3KCNK9PTGS1PTPRCF2R
SCHEMBL18083782 0.75 RXFP1 (0.51) KCNK3KCNK9ABL1SRCPTGES
SCHEMBL2638776 0.75 PTGS1 (0.70) KCNK3KCNK9PTGS1PTPRCPTGES
SCHEMBL21130238 0.75 SCN8A (0.59) RXFP1
SCHEMBL3782432 0.74 KCNK3 (0.67) KCNK3KCNK9PTGS1PTPRCPTGES

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
EP-3271348-B1 NEW FYN KINASE INHIBITORS Rottapharm Biotech Srl (IT) 2019-01-30 — — EP disclosed
US-20180111919-A1 NEW FYN KINASE INHIBITORS ROTTAPHARM BIOTECH S.R.L. (IT) 2018-04-26 — — US disclosed
WO-2016146220-A1 NEW FYN KINASE INHIBITORS ROTTAPHARM BIOTECH S.R.L. (IT) 2016-09-22 — — WO disclosed
EP-3070084-A1 NEW FYN KINASE INHIBITORS Rottapharm Biotech S.r.l. (IT) 2016-09-21 — — EP 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-20180111919-A1 NEW FYN KINASE INHIBITORS FYN, LCK, LYN KCNK3 1166/4885KCNK9 1574/4885PTGS1 496/4885

“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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