SCHEMBL31190839

SCHEMBL31190839

c1ccc2c(c1)c1cccc3ccn2c31

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.41
FTO Q9C0B1 1/20 0.41
CDK4 P11802 5/20 0.39
CCND1 P24385 5/20 0.39
IDO1 P14902 1/20 0.39
GPR3 P46089 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
PABPC1 P11940 1/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGS2 P35354 1/20 0.35
EGFR P00533 1/20 0.34

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
SCHEMBL4512211 1.00 ALKBH5 (0.41) ALKBH5FTOCDK4CCND1IDO1
SCHEMBL19914101 0.85 CYP1A2 (0.47) ALKBH5FTOCDK4CCND1IDO1
SCHEMBL24703291 0.82 KDM4E (0.37) ALKBH5FTOCDK4CCND1IDO1
SCHEMBL4501277 0.78 MAOA (0.41) IDO1CYP1A2CYP2C19KDM4EMAPT
SCHEMBL17432337 0.78 KDM4E (0.50) ALKBH5FTOCDK4CCND1KDM4E
SCHEMBL16850434 0.78 KDM4E (0.50) ALKBH5FTOCDK4CCND1KDM4E
SCHEMBL21651191 0.77 GPR3 (0.38) ALKBH5FTOCDK4CCND1GPR3
SCHEMBL6980643 0.76 KDM4E (0.42) ALKBH5FTOIDO1GPR3CYP1A2
SCHEMBL5658467 0.76 PRKDC (0.42) CDK4CCND1IDO1KDM4EMEN1
SCHEMBL13703591 0.76 ALKBH5 (0.39) ALKBH5FTOGPR3CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12108666-B2 Compound and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2024-10-01 US claimed
CN-112739702-B Compound and organic electroluminescent element 出光兴产株式会社 2024-12-06 CN 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-12108666-B2 Compound and organic electroluminescence device AHR, UQCRB, CCKBR ALKBH5 489/4885FTO 130/4885CDK4 1006/4885

“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.