SCHEMBL16246183

SCHEMBL16246183

CCOC(=O)Cn1cnc(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 1/20 0.52
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
MITF O75030 1/20 0.43
ALDH1A1 P00352 5/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 2/20 0.41
PIN1 Q13526 1/20 0.40
PIN4 Q9Y237 1/20 0.40
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ELANE P08246 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
ATM Q13315 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
Hexane SCHEMBL9090241 0.94 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ACA12CA1CA2
SCHEMBL3711683 0.83 RAB9A (0.54) SMN1; SMN2RAB9ACA12CA1CA2
SCHEMBL1800598 0.83 PSEN1 (0.39) SMN1; SMN2RAB9AALDH1A1KDM4EGAA
SCHEMBL3734570 0.81 RAB9A (0.50) SMN1; SMN2RAB9ACA12CA1CA2
SCHEMBL307578 0.81 RAB9A (0.52) SMN1; SMN2RAB9ACA12CA1CA2
SCHEMBL20552878 0.81 RAB9A (0.52) SMN1; SMN2RAB9ACA12CA1CA2
SCHEMBL1025097 0.81 RAB9A (0.52) SMN1; SMN2RAB9ACA12CA1CA2
SCHEMBL3711165 0.80 RAB9A (0.49) SMN1; SMN2RAB9ACA12CA1CA2
SCHEMBL23361721 0.79 RAB9A (0.51) SMN1; SMN2RAB9ACA12CA1CA2
SCHEMBL3708433 0.77 RAB9A (0.49) SMN1; SMN2RAB9ACA12CA1CA2

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 SMN1; SMN2 4085/4885RAB9A 1325/4885CA12 4846/4885

“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.