SCHEMBL22025088

SCHEMBL22025088

O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(Nc2cc(-c3ccncc3)nc3sccc23)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.56
▸ KDM4E B2RXH2 5/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ MAPK1 P28482 3/20 0.53
▸ IDE P14735 1/20 0.53
▸ MAPK10 P53779 1/20 0.53
▸ BRAF P15056 4/20 0.52
▸ POLB P06746 2/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ GGPS1 O95749 2/20 0.48
▸ AURKA O14965 1/20 0.48
▸ MPO P05164 1/20 0.47

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
SCHEMBL22024619 0.96 MAPT (0.56) MAPTKDM4ENPSR1MAPK1IDE
SCHEMBL22024791 0.91 MEN1 (0.57) MAPTKDM4ENPSR1MAPK1MAPK10
SCHEMBL22025503 0.89 POLB (0.63) MAPTKDM4EMAPK1IDEMAPK10
SCHEMBL22024786 0.88 PIKFYVE (0.58) MAPTKDM4ENPSR1MAPK1BRAF
SCHEMBL22024821 0.88 PIKFYVE (0.62) MAPTKDM4ENPSR1BRAFPOLB
SCHEMBL22024781 0.81 PIKFYVE (0.65) MAPTMAPK1MAPK10BRAFPOLB
SCHEMBL22025512 0.81 BRAF (0.58) MAPTKDM4ENPSR1MAPK1BRAF
SCHEMBL22066247 0.80 MAPT (0.44) MAPTKDM4ENPSR1MAPK1BRAF
SCHEMBL22024822 0.80 PIKFYVE (0.74) MAPK1MAPK10BRAFAURKA
SCHEMBL22024706 0.75 PIKFYVE (0.78) MAPTMAPK1MAPK10BRAFRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof XIAMEN UNIVERSITY (CN) 2022-06-07 — — US disclosed
EP-3663293-A1 SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF Xiamen University (CN) 2020-06-10 — — EP disclosed
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF XIAMEN UNIVERSITY (CN) 2020-05-28 — — 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-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof PIKFYVE, PIK3CA, PIK3C2A MAPT 2459/4885KDM4E 749/4885NPSR1 3668/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A MAPT 2459/4885KDM4E 749/4885NPSR1 3668/4885

“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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