SCHEMBL23917402

SCHEMBL23917402

c1ccc(-c2ccc3[nH]c4cn5c(cc4c3c2)nc2ccccc25)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
AXL P30530 2/20 0.39
ALK Q9UM73 1/20 0.39
JAK2 O60674 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRA6 Q16445 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL21622713 0.90 CDK4 (0.35) CDK4CCND1AXLALKJAK2
SCHEMBL21622772 0.85 AHR (0.46) ALKALDH1A1KDM4EHPGDMAPT
SCHEMBL21622771 0.78 ALDH1A1 (0.40) CDK4CCND1AXLJAK2ALDH1A1
SCHEMBL21622770 0.75 AHR (0.44) ALKALDH1A1KDM4EHPGDMAPT
SCHEMBL17154708 0.74 CDK4 (0.57) CDK4CCND1AXLJAK2ALDH1A1
SCHEMBL19041639 0.74 CDK4 (0.57) CDK4CCND1AXLJAK2ALDH1A1
SCHEMBL3365890 0.74 CDK4 (0.57) CDK4CCND1AXLJAK2ALDH1A1
SCHEMBL149685 0.74 CDK4 (0.57) CDK4CCND1AXLJAK2ALDH1A1
SCHEMBL12001022 0.74 CDK4 (0.57) CDK4CCND1AXLJAK2ALDH1A1
SCHEMBL30300831 0.74 CDK4 (0.57) CDK4CCND1AXLJAK2ALDH1A1

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-11581497-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-02-14 US disclosed
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-10-14 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 (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-11581497-B2 Materials for organic electroluminescent devices OR10J3, EPCAM, L1CAM CDK4 3048/4885CCND1 2928/4885AXL 3097/4885
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM CDK4 3048/4885CCND1 2928/4885AXL 3097/4885

“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.