SCHEMBL22024983

SCHEMBL22024983

Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1NC(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 4/20 0.54
▸ KIT P10721 2/20 0.54
▸ LCK P06239 1/20 0.54
▸ SRC P12931 1/20 0.54
▸ MAPK14 Q16539 1/20 0.54
▸ TRPA1 O75762 2/20 0.52
▸ CSF1R P07333 3/20 0.52
▸ POLB P06746 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ HDAC3 O15379 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ DDR2 Q16832 2/20 0.48
▸ EPHB2 P29323 1/20 0.48
▸ DDR1 Q08345 1/20 0.48
▸ LYN P07948 1/20 0.48

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
SCHEMBL22024681 0.89 KIT (0.68) KITLCKSRCMAPK14CSF1R
SCHEMBL22024679 0.89 BRAF (0.56) P2RX1KITCSF1RHTTHDAC3
SCHEMBL22025349 0.86 BRAF (0.58) KITLCKSRCMAPK14CSF1R
SCHEMBL22066358 0.86 P2RX1 (0.58) P2RX1KITLCKSRCMAPK14
SCHEMBL22024818 0.84 P2RX1 (0.56) P2RX1KITLCKSRCMAPK14
SCHEMBL22024989 0.83 EPHB2 (0.72) KITLCKSRCMAPK14CSF1R
SCHEMBL22025352 0.82 DDR2 (0.56) P2RX1KITLCKSRCMAPK14
SCHEMBL22024518 0.82 BRAF (0.69) P2RX1KITLCKSRCMAPK14
SCHEMBL22025464 0.79 P2RX1 (0.59) P2RX1KITLCKSRCMAPK14
SCHEMBL17316199 0.79 P2RX1 (0.59) P2RX1KITLCKSRCMAPK14

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 2 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
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 P2RX1 4023/4885KIT 495/4885LCK 6/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A P2RX1 4023/4885KIT 495/4885LCK 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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