SCHEMBL20051941

SCHEMBL20051941

CCCCCCC(CCCCC)c1cnccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OPRM1 P35372 1/20 0.33
NR1I2 O75469 1/20 0.33
KCNA5 P22460 1/20 0.33
KCNH2 Q12809 1/20 0.33
LONP1 P36776 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL25963869 1.00 KDM4E (0.42) KDM4ECYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL19261469 1.00 KDM4E (0.42) KDM4ECYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL19225147 1.00 KDM4E (0.42) KDM4ECYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL21515801 0.98 KDM4E (0.41) KDM4ECYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL21715644 0.98 KDM4E (0.40) KDM4ECYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL25430708 0.97 KDM4E (0.40) KDM4ECYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL26874335 0.97 KDM4E (0.40) KDM4ECYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL26078436 0.97 KDM4E (0.40) KDM4ECYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL26078416 0.95 KDM4E (0.38) KDM4ECYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL29786217 0.86 CYP2D6 (0.38) KDM4ECYP2D6CYP19A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-10981903-B2 Inhibitors of c-Jun-N-terminal kinase (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-20 US disclosed
US-20200087295-A9 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-03-19 US disclosed
US-10577362-B2 Substituted 2, 4-diamino-quinoline derivatives for use in the treatment of proliferative diseases GENOSCIENCE PHARMA (FR) 2020-03-03 US disclosed
US-20190248778-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-08-15 US disclosed
US-20190144437-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES GENOSCIENCE PHARMA (FR) 2019-05-16 US disclosed
US-9944607-B2 Thiohydantoin derivatives and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-17 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 (6 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-10981903-B2 Inhibitors of c-Jun-N-terminal kinase (JNK) CNKSR1, MAPK1, MAP3K1 KDM4E 2740/4885CYP2D6 1892/4885CYP19A1 2584/4885
US-20190144437-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES NQO2, RECQL, CCNO KDM4E 2623/4885CYP2D6 778/4885CYP19A1 1932/4885
US-20200087295-A9 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 KDM4E 2740/4885CYP2D6 1892/4885CYP19A1 2584/4885
US-10577362-B2 Substituted 2, 4-diamino-quinoline derivatives for use in the treatment of proliferative diseases NQO2, RECQL, CCNO KDM4E 2623/4885CYP2D6 778/4885CYP19A1 1932/4885
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 KDM4E 3761/4885CYP2D6 4347/4885CYP19A1 3649/4885
US-20190248778-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 KDM4E 2740/4885CYP2D6 1892/4885CYP19A1 2584/4885

“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.