SCHEMBL19980438

SCHEMBL19980438

c1ccc2c(c1)-c1ccccc1C21c2cccnc2-c2cccc3cccc1c23

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.43
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAOA P21397 1/20 0.41
GAA P10253 3/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
PTPRC P08575 2/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
PTPN13 Q12923 1/20 0.36
TSHR P16473 3/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 2/20 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
SCHEMBL11990868 0.84 PDK2 (0.56) PDK2KMT2ACYP1A2CYP2C19GAA
SCHEMBL30322608 0.84 PDK2 (0.56) PDK2KMT2ACYP1A2CYP2C19GAA
SCHEMBL19567070 0.84 PDK2 (0.37) PDK2KMT2ACYP1A2CYP2C19MAOA
SCHEMBL32682807 0.82 PDK2 (0.49) PDK2KMT2ACYP1A2CYP2C19GAA
SCHEMBL29419598 0.82 PDK2 (0.49) PDK2KMT2ACYP1A2CYP2C19GAA
SCHEMBL5344736 0.82 PDK2 (0.49) PDK2KMT2ACYP1A2CYP2C19GAA
SCHEMBL19980423 0.81 ALDH1A1 (0.39) PDK2KMT2ACYP1A2CYP2C19MAOA
SCHEMBL19567023 0.81 ALDH1A1 (0.39) PDK2KMT2ACYP1A2CYP2C19MAOA
SCHEMBL19974426 0.80 ALDH1A1 (0.54) PDK2KMT2ACYP1A2LMNAALDH1A1
SCHEMBL29516015 0.80 ALDH1A1 (0.54) PDK2KMT2ACYP1A2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512841-B1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2023-04-26 EP disclosed
US-11447464-B2 Compounds with spirobifluorene-structures MERCK PATENT GMBH (DE) 2022-09-20 US disclosed
US-20190194164-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2019-06-27 US disclosed
WO-2018050584-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2018-03-22 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 (2 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-11447464-B2 Compounds with spirobifluorene-structures SLCO1B3, SLCO4C1, SLCO1B1 PDK2 835/4885KMT2A 3037/4885CYP1A2 787/4885
US-20190194164-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES SLCO1B3, SLCO4C1, SLCO1B1 PDK2 835/4885KMT2A 3037/4885CYP1A2 787/4885

“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.