SCHEMBL22025019

SCHEMBL22025019

COc1ccc(Nc2cc(-c3cccnc3)nc3[nH]ccc23)cc1C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIKFYVE Q9Y2I7 5/20 0.65
▸ ABL1 P00519 2/20 0.56
▸ BCR P11274 2/20 0.56
▸ RXFP1 Q9HBX9 6/20 0.51
▸ EGFR P00533 1/20 0.49
▸ PDGFRB P09619 1/20 0.49
▸ PDGFRA P16234 1/20 0.49
▸ PRKCA P17252 1/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ MAPT P10636 2/20 0.47
▸ CSF1R P07333 2/20 0.46
▸ BRAF P15056 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KIT P10721 1/20 0.45

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
SCHEMBL22024706 0.86 PIKFYVE (0.78) PIKFYVEABL1BCRRXFP1EGFR
SCHEMBL22024636 0.85 ABL1 (0.55) PIKFYVEABL1BCRRXFP1EGFR
SCHEMBL22024551 0.81 PIKFYVE (0.88) PIKFYVEABL1BCREGFRPDGFRB
SCHEMBL22025017 0.80 PIKFYVE (0.82) PIKFYVEABL1BCREGFRPDGFRB
SCHEMBL21943007 0.80 PIKFYVE (0.61) PIKFYVEABL1BCRRXFP1MEN1
SCHEMBL22024552 0.80 PIKFYVE (0.74) PIKFYVEABL1BCRRXFP1EGFR
SCHEMBL22024870 0.79 PIKFYVE (1.00) PIKFYVEABL1BCREGFRPDGFRB
SCHEMBL30675086 0.79 PIKFYVE (1.00) PIKFYVEABL1BCREGFRPDGFRB
SCHEMBL22025016 0.78 PIKFYVE (0.79) PIKFYVEABL1BCREGFRPDGFRB
SCHEMBL22024638 0.77 RXFP1 (0.51) ABL1BCRRXFP1EGFRPDGFRB

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 1/4885ABL1 1429/4885BCR 1416/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A PIKFYVE 1/4885ABL1 1429/4885BCR 1416/4885

“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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