SCHEMBL22024868

SCHEMBL22024868

CN1CCN(Cc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2Nc2cc(-c3cccnc3)nc3[nH]ccc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIKFYVE Q9Y2I7 1/20 0.64
▸ KIT P10721 5/20 0.58
▸ CSF1R P07333 4/20 0.58
▸ ABL1 P00519 7/20 0.56
▸ RET P07949 5/20 0.54
▸ BCR P11274 5/20 0.54
▸ LYN P07948 2/20 0.54
▸ PDGFRB P09619 2/20 0.53
▸ EGFR P00533 3/20 0.52
▸ BRAF P15056 3/20 0.52
▸ SRC P12931 1/20 0.50
▸ PDGFRA P16234 1/20 0.50
▸ SYK P43405 1/20 0.50

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
SCHEMBL22024633 0.89 PIKFYVE (0.67) PIKFYVEKITCSF1RABL1RET
SCHEMBL22025015 0.87 ABL1 (0.74) PIKFYVEKITCSF1RABL1RET
SCHEMBL22024541 0.86 PIKFYVE (0.69) PIKFYVEKITCSF1RABL1RET
SCHEMBL22024550 0.85 PIKFYVE (0.65) PIKFYVEKITCSF1RABL1BCR
SCHEMBL22024549 0.85 PIKFYVE (0.59) PIKFYVEKITCSF1RABL1RET
SCHEMBL22024615 0.84 PIKFYVE (0.71) PIKFYVEKITCSF1RABL1RET
SCHEMBL22024551 0.84 PIKFYVE (0.88) PIKFYVEKITCSF1RABL1RET
SCHEMBL22024552 0.84 PIKFYVE (0.74) PIKFYVEKITCSF1RABL1RET
SCHEMBL22024632 0.83 PIKFYVE (0.75) PIKFYVEKITCSF1RABL1RET
SCHEMBL22024706 0.82 PIKFYVE (0.78) PIKFYVEKITCSF1RABL1RET

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 1/4885KIT 495/4885CSF1R 3197/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A PIKFYVE 1/4885KIT 495/4885CSF1R 3197/4885

“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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