SCHEMBL21226328

SCHEMBL21226328

CC1(C)c2ccccc2-c2nccnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.38
PGR P06401 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTPRC P08575 2/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
PTPN13 Q12923 1/20 0.33
KCNQ2 O43526 1/20 0.33
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL30658986 1.00 PDK2 (0.44) PDK2KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL9963989 0.78 PDK2 (0.41) PDK2KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL19009214 0.78 PDK2 (0.42) PDK2KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL68937 0.78 PDK2 (0.57) PDK2KMT2ACYP1A2CYP2C19LMNA
SCHEMBL22373978 0.78 PDK2 (0.41) PDK2KMT2ACYP1A2CYP2C19PGR
SCHEMBL24349347 0.77 PDK2 (0.47) PDK2KMT2ACYP1A2CYP2C19LMNA
SCHEMBL24349356 0.77 PDK2 (0.34) PDK2KMT2ACYP1A2CYP2C19PGR
SCHEMBL29669839 0.75 PDK2 (0.40) PDK2KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL21104282 0.74 PDK2 (0.39) PDK2KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL22373897 0.74 PDK2 (0.39) PDK2CYP1A2CYP2C19PGRKCNQ2

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-11858947-B2 Heterocyclic compound and organic light emitting device including the same LG CHEM, LTD. (KR) 2024-01-02 US disclosed
US-11858947-B2 Heterocyclic compound and organic light emitting device including the same LG CHEM, LTD. (KR) 2024-01-02 US disclosed
US-20220081510-A1 THERMOPLASTIC RESIN, OPTICAL FILM MADE THEREFROM, DIOL COMPOUND, DIESTER COMPOUND MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-17 US disclosed
US-20210340159-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG CHEM, LTD. (KR) 2021-11-04 US disclosed
US-10370473-B2 Compound, curable composition, cured product, optical member, and lens FUJIFILM CORPORATION (JP) 2019-08-06 US 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 (4 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-20220081510-A1 THERMOPLASTIC RESIN, OPTICAL FILM MADE THEREFROM, DIOL COMPOUND, DIESTER COMPOUND RTF1, RNF10, RAD51 PDK2 3967/4885KMT2A 525/4885CYP1A2 298/4885
US-20210340159-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME NR4A1, CYP1A1, ARNT PDK2 4525/4885KMT2A 1646/4885CYP1A2 36/4885
US-11858947-B2 Heterocyclic compound and organic light emitting device including the same NR4A1, CYP1A1, ARNT PDK2 4525/4885KMT2A 1646/4885CYP1A2 36/4885
US-10370473-B2 Compound, curable composition, cured product, optical member, and lens CRYZ, CRYAA, UACA PDK2 4845/4885KMT2A 1692/4885CYP1A2 3495/4885

“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.