SCHEMBL16246169

SCHEMBL16246169

O=C(O)Nc1ccc(CCI)cn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 2/20 0.46
TSHR P16473 4/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
DEGS1 O15121 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
P4HTM Q9NXG6 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
WNT3A P56704 1/20 0.37
HCAR3 P49019 1/20 0.37

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
SCHEMBL16246036 0.85 RAB9A (0.43) RAB9ASMN1; SMN2NPC1TSHRLMNA
SCHEMBL27659324 0.83 RAB9A (0.43) RAB9ASMN1; SMN2NPC1TSHRLMNA
SCHEMBL11466907 0.81 DEGS1 (0.56) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL466003 0.81 RAB9A (0.46) RAB9ASMN1; SMN2NPC1TSHRLMNA
SCHEMBL11469631 0.81 NFKB1 (0.60) RAB9ASMN1; SMN2NPC1TSHRLMNA
SCHEMBL3202851 0.79 RAB9A (0.44) RAB9ASMN1; SMN2NPC1TSHRLMNA
SCHEMBL3720037 0.79 RAB9A (0.44) RAB9ASMN1; SMN2NPC1TSHRLMNA
SCHEMBL465776 0.79 RAB9A (0.47) RAB9ASMN1; SMN2NPC1TSHRLMNA
SCHEMBL17675503 0.79 RAB9A (0.44) RAB9ASMN1; SMN2NPC1TSHRLMNA
Hydrochloric Acid SCHEMBL8722614 0.78 MEN1 (0.43) RAB9ASMN1; SMN2NPC1TSHRLMNA

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 RAB9A 1325/4885SMN1; SMN2 4085/4885NPC1 2860/4885

“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.