SCHEMBL16246243

SCHEMBL16246243

O=C(O)Nc1ccc(CCI)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDX3X O00571 1/20 0.38
▸ P4HTM Q9NXG6 4/20 0.37
▸ KCNQ3 O43525 1/20 0.36
▸ KCNQ2 O43526 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PTPN2 P17706 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL16246131 0.85 TRPV1 (0.39) DDX3XP4HTMKCNQ3KCNQ2MAPT
SCHEMBL1900631 0.81 PDE7A (0.41) P4HTMKCNQ3KCNQ2MAPTKMT2A
SCHEMBL16881120 0.79 P4HTM (0.39) P4HTMKCNQ3KCNQ2MAPTKMT2A
SCHEMBL17784989 0.78 TRPV1 (0.43) DDX3XP4HTMMAPTGAAKMT2A
SCHEMBL16246250 0.78 NAMPT (0.46) —
SCHEMBL27961407 0.77 PABPC1 (0.34) DDX3XP4HTMKCNQ3KCNQ2MAPT
SCHEMBL16423725 0.77 NAMPT (0.39) P4HTMKCNQ3KCNQ2MAPTKMT2A
SCHEMBL5619 0.74 POLB (0.46) MAPTGAASMN1; SMN2RAB9ANPC1
SCHEMBL28723833 0.74 P4HTM (0.42) P4HTMKCNQ3KCNQ2MAPTGAA
SCHEMBL28292574 0.74 P4HTM (0.41) P4HTMMAPTGAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2994470-B1 PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2018-04-18 — — EP disclosed
US-9630963-B2 Quinolone derivatives as fibroblast growth factor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-04-25 — — US disclosed
US-20160130268-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-05-12 — — US disclosed
EP-2994470-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS Principia Biopharma Inc. (US) 2016-03-16 — — EP disclosed
WO-2014182829-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-11-13 — — 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-20160130268-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS FGFR1, FGFR3, FGFR2 DDX3X 1094/4885P4HTM 2664/4885KCNQ3 2779/4885

“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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