SCHEMBL21392543

SCHEMBL21392543

Cc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccn4)cc3)c3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
MAPK1 P28482 2/20 0.54
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPP1CA P62136 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.42
DHODH Q02127 1/20 0.41
PDE10A Q9Y233 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GRIA1 P42261 1/20 0.38
CACNG8 Q8WXS5 1/20 0.38
CACNG2 Q9Y698 1/20 0.38

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
SCHEMBL26344595 0.92 MAPK1 (0.48) HTTMAPK1CYP1A2MAPTCYP2C9
SCHEMBL26344411 0.91 MAPK1 (0.49) HTTMAPK1CYP1A2MAPTCYP2C9
SCHEMBL26345066 0.90 HTT (0.43) HTTMAPK1CYP1A2MAPTCYP2C9
SCHEMBL26344458 0.90 MAPK1 (0.48) HTTMAPK1TSHRDHODHALDH1A1
SCHEMBL21392574 0.87 KMT2A (0.43) HTTMAPK1CYP1A2MAPTCYP2C9
SCHEMBL21392559 0.87 ESR1 (0.55) HTTMAPK1CYP1A2MAPTCYP2C9
SCHEMBL26344463 0.86 KMT2A (0.42) HTTMAPK1CYP1A2MAPTCYP2C9
SCHEMBL15964463 0.86 MAPK1 (0.69) HTTMAPK1MAPTKMT2ATSHR
SCHEMBL26345101 0.85 ESR1 (0.44) HTTMAPK1CYP1A2MAPTCYP2C9
SCHEMBL26344454 0.85 ESR1 (0.50) HTTMAPK1CYP1A2MAPTCYP2C9

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
US-11877509-B2 Organic light-emitting element LG CHEM, LTD. 2024-01-16 US disclosed
US-11877509-B2 Organic light-emitting element LG CHEM, LTD. 2024-01-16 US disclosed
US-20230309380-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2023-09-28 US disclosed
US-20190296238-A1 Organic Light-emitting Element LG CHEM, LTD. (KR) 2019-09-26 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 (3 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-20190296238-A1 Organic Light-emitting Element CRY1, CRY2, NR2E3 HTT 2428/4885MAPK1 4606/4885CYP1A2 513/4885
US-20230309380-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS PIEZO1, OR10J3, TMEM109 HTT 2655/4885MAPK1 675/4885CYP1A2 1041/4885
US-11877509-B2 Organic light-emitting element CRY1, CRY2, NR2E3 HTT 2428/4885MAPK1 4606/4885CYP1A2 513/4885

“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.