SCHEMBL21081279

SCHEMBL21081279

c1ccc2cc(-n3c(-c4ccc(-c5ccc(-c6ccc(-c7nc8ccccc8n7-c7ccc8ccccc8c7)c7cccnc67)cc5)c5ncccc45)nc4ccccc43)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 9/20 0.46
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ESR1 P03372 3/20 0.38
▸ ESR2 Q92731 3/20 0.38
▸ COMT P21964 1/20 0.38
▸ GRIA1 P42261 1/20 0.38
▸ CACNG8 Q8WXS5 1/20 0.38
▸ CACNG2 Q9Y698 1/20 0.38
▸ MAPK9 P45984 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL21081242 0.94 MAPK10 (0.47) MAPK10HPGDESR1ESR2COMT
SCHEMBL21081323 0.90 MAPK10 (0.49) MAPK10ESR1ESR2COMTGRIA1
SCHEMBL21081264 0.87 RECQL (0.48) HPGDRAB9AESR1ESR2COMT
SCHEMBL21081263 0.87 ESR2 (0.43) MAPK10RAB9AESR1ESR2COMT
SCHEMBL21081249 0.86 MAPK10 (0.51) MAPK10RAB9AESR1ESR2GRIA1
SCHEMBL21081245 0.85 ESR1 (0.49) HPGDRAB9AESR1ESR2COMT
SCHEMBL21081276 0.83 MDM2 (0.47) RAB9AESR1ESR2COMTGRIA1
SCHEMBL21081230 0.83 ESR1 (0.55) HPGDRAB9AESR1ESR2COMT
SCHEMBL21081247 0.82 MAPK10 (0.46) MAPK10RAB9ACOMTALDH1A1
SCHEMBL21081231 0.81 RECQL (0.51) HPGDRAB9AESR1ESR2GRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190173021-A1 NITROGEN HETEROCYCLE-FUSED BENZENE-BENZIMIDAZOLE ORGANIC COMPOUND, DISPLAY PANEL AND DISPLAY APPARATUS WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2019-06-06 — — 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 (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-20190173021-A1 NITROGEN HETEROCYCLE-FUSED BENZENE-BENZIMIDAZOLE ORGANIC COMPOUND, DISPLAY PANEL AND DISPLAY APPARATUS OCIAD1, OCIAD2, CTNND1 MAPK10 2838/4885HPGD 437/4885RAB9A 2660/4885

“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.

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