SCHEMBL22024643

SCHEMBL22024643

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cc(-c2ccccc2)nc2[nH]ccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIKFYVE Q9Y2I7 2/20 0.74
▸ POLB P06746 4/20 0.59
▸ MAPT P10636 3/20 0.59
▸ APEX1 P27695 2/20 0.59
▸ LCK P06239 4/20 0.54
▸ MAPK14 Q16539 4/20 0.54
▸ SRC P12931 3/20 0.54
▸ KIT P10721 2/20 0.54
▸ DDR1 Q08345 4/20 0.54
▸ DDR2 Q16832 4/20 0.54
▸ EPHB2 P29323 3/20 0.54
▸ CSF1R P07333 1/20 0.53
▸ HTT P42858 1/20 0.52
▸ ATM Q13315 3/20 0.52
▸ BRAF P15056 3/20 0.52
▸ ABL1 P00519 3/20 0.52
▸ PDGFRB P09619 3/20 0.52
▸ ESYT2 A0FGR8 2/20 0.52
▸ NBAS A2RRP1 2/20 0.52
▸ CNOT1 A5YKK6 2/20 0.52

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
SCHEMBL22025465 0.93 PIKFYVE (0.72) PIKFYVEPOLBMAPTAPEX1LCK
SCHEMBL22024689 0.93 PIKFYVE (0.70) PIKFYVEPOLBMAPTAPEX1LCK
SCHEMBL22024705 0.93 PIKFYVE (0.75) PIKFYVEPOLBMAPTAPEX1LCK
SCHEMBL22024534 0.93 PIKFYVE (0.85) PIKFYVEPOLBMAPTAPEX1LCK
SCHEMBL22024540 0.93 PIKFYVE (0.69) PIKFYVEPOLBMAPTAPEX1LCK
SCHEMBL22024642 0.93 PIKFYVE (0.69) PIKFYVEPOLBMAPTAPEX1LCK
SCHEMBL22024546 0.93 PIKFYVE (0.71) PIKFYVEPOLBMAPTAPEX1LCK
SCHEMBL22024708 0.93 PIKFYVE (0.71) PIKFYVEPOLBMAPTAPEX1LCK
SCHEMBL22024551 0.92 PIKFYVE (0.88) PIKFYVEPOLBMAPTAPEX1LCK
SCHEMBL22025305 0.90 PIKFYVE (0.67) PIKFYVEPOLBMAPTAPEX1LCK

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 PIKFYVE 1/4885POLB 1927/4885MAPT 2459/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A PIKFYVE 1/4885POLB 1927/4885MAPT 2459/4885

“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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