SCHEMBL22024681

SCHEMBL22024681

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 3/20 0.68
▸ MAPK14 Q16539 3/20 0.68
▸ LCK P06239 2/20 0.68
▸ SRC P12931 2/20 0.68
▸ CSF1R P07333 2/20 0.66
▸ MAPT P10636 4/20 0.64
▸ POLB P06746 2/20 0.64
▸ HTT P42858 2/20 0.64
▸ APEX1 P27695 1/20 0.64
▸ KDM4E B2RXH2 2/20 0.62
▸ DDR2 Q16832 4/20 0.61
▸ DDR1 Q08345 3/20 0.61
▸ EPHB2 P29323 1/20 0.61
▸ MEN1 O00255 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ KDR P35968 2/20 0.59
▸ ATM Q13315 1/20 0.58
▸ KCNK3 O14649 1/20 0.58
▸ KCNK9 Q9NPC2 1/20 0.58

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
SCHEMBL22024518 0.91 BRAF (0.69) KITMAPK14LCKSRCCSF1R
SCHEMBL22024983 0.89 P2RX1 (0.54) KITMAPK14LCKSRCCSF1R
SCHEMBL17131157 0.87 MAPK14 (0.72) KITMAPK14LCKSRCCSF1R
SCHEMBL22065302 0.86 KIT (0.71) KITMAPK14LCKSRCCSF1R
SCHEMBL22025430 0.86 MEN1 (0.59) MAPK14MAPTHTTKDM4EMEN1
SCHEMBL22025349 0.85 BRAF (0.58) KITMAPK14LCKSRCCSF1R
SCHEMBL22025094 0.85 RXFP1 (0.61) KITMAPK14LCKSRCCSF1R
SCHEMBL22024502 0.85 KIT (0.69) KITMAPK14LCKSRCCSF1R
SCHEMBL22025348 0.84 CNR1 (0.55) KITMAPK14LCKSRCMEN1
SCHEMBL22024846 0.84 MAPT (0.74) MAPTPOLBHTTMEN1RAB9A

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 KIT 495/4885MAPK14 141/4885LCK 6/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A KIT 495/4885MAPK14 141/4885LCK 6/4885

“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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