SCHEMBL16655447

SCHEMBL16655447

COc1cc(B2OC(C)(C)C(C)(C)O2)cc(C#N)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.37
HPGD P15428 2/20 0.35
CSF1R P07333 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
SRC P12931 2/20 0.33
ESR2 Q92731 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
GAK O14976 1/20 0.32
EGFR P00533 1/20 0.32
LPL P06858 4/20 0.32
LIPG Q9Y5X9 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
SNCA P37840 1/20 0.31

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
SCHEMBL9947925 0.85 LPL (0.37) CSF1RKDM4EALDH1A1USP2ESR2
SCHEMBL2278746 0.84 ACHE (0.43) HPGDCSF1RKDM4EALDH1A1LPL
SCHEMBL2656840 0.84 KDM4E (0.40) CSF1RKDM4EALDH1A1USP2ESR2
SCHEMBL21772422 0.84 LPL (0.36) ESR2LPLLIPGSNCACA1
SCHEMBL1668192 0.82 TBK1 (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL1667913 0.81 ALDH1A1 (0.49) CSF1RKDM4EALDH1A1USP2ESR2
SCHEMBL421663 0.81 AR (0.43) CSF1RKDM4EALDH1A1USP2ESR2
SCHEMBL14764291 0.80 HTR2A (0.33) CSF1RKDM4EALDH1A1USP2ESR2
SCHEMBL17320566 0.78 CSF1R (0.40) HPGDCSF1RKDM4EALDH1A1LPL
SCHEMBL1668409 0.76 KMT2A (0.34) HPGDPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 US disclosed
EP-3057970-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-08-24 EP disclosed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 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-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB FPR2 3423/4885HPGD 1570/4885CSF1R 2312/4885

“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.