SCHEMBL14908404

SCHEMBL14908404

COc1cccc(F)c1NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
PDE4D Q08499 2/20 0.46
ALDH1A1 P00352 4/20 0.43
NLRP3 Q96P20 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
ATR Q13535 1/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.41
DRD2 P14416 1/20 0.40
SYK P43405 1/20 0.40
POLB P06746 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40

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
SCHEMBL29991677 0.89 ATR (0.47) KMT2AALDH1A1NPC1ATRMEN1
SCHEMBL1610508 0.88 NLRP3 (0.53) KMT2APDE4DALDH1A1NLRP3NPC1
SCHEMBL27534611 0.86 KMT2A (0.41) KMT2AALDH1A1NLRP3SMN1; SMN2NPC1
SCHEMBL27484947 0.84 ALDH1A1 (0.44) KMT2APDE4DALDH1A1ATRMEN1
SCHEMBL25370377 0.83 KCNK3 (0.48) KMT2AALDH1A1NPC1ATRMEN1
SCHEMBL729159 0.82 ATR (0.42) ALDH1A1ATRKDM4EMAPTGAA
SCHEMBL12730437 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2ATRKDM4EHTT
SCHEMBL28609842 0.82 SCN9A (0.42) KMT2APDE4DNLRP3SMN1; SMN2ATR
SCHEMBL31167626 0.82 LCK (0.51) NLRP3ATRSYKPDK1PDK2
SCHEMBL5349934 0.82 LCK (0.51) NLRP3ATRSYKPDK1PDK2

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
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
EP-2772485-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-09-03 EP disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 US disclosed
CN-103492377-A Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC 2014-01-01 CN disclosed
WO-2013061962-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2013-05-02 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-20140243310-A1 BICYCLIC COMPOUND BICRA, NR3C2, CYP11B2 KMT2A 465/4885PDE4D 2250/4885ALDH1A1 450/4885

“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.