SCHEMBL22024738

SCHEMBL22024738

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)c2[nH]ccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIKFYVE Q9Y2I7 11/20 1.00
▸ BRAF P15056 6/20 0.61
▸ CSF1R P07333 3/20 0.61
▸ ABL1 P00519 1/20 0.53
▸ BCR P11274 1/20 0.53
▸ TEK Q02763 1/20 0.53

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
SCHEMBL22024627 0.94 PIKFYVE (0.89) PIKFYVEBRAFCSF1RABL1BCR
SCHEMBL22024657 0.94 PIKFYVE (0.89) PIKFYVEBRAFCSF1RABL1BCR
SCHEMBL22025387 0.94 PIKFYVE (0.90) PIKFYVEBRAFCSF1RABL1BCR
SCHEMBL22024626 0.93 PIKFYVE (1.00) PIKFYVEABL1BCR
SCHEMBL22025386 0.92 PIKFYVE (0.84) PIKFYVEBRAFCSF1RTEK
SCHEMBL22025072 0.92 PIKFYVE (0.84) PIKFYVEBRAFCSF1R
SCHEMBL22024601 0.91 PIKFYVE (0.83) PIKFYVEBRAFCSF1RABL1BCR
SCHEMBL22024593 0.90 PIKFYVE (1.00) PIKFYVEBRAFCSF1RABL1BCR
SCHEMBL22025483 0.89 PIKFYVE (1.00) PIKFYVEBRAFCSF1RABL1BCR
SCHEMBL22025073 0.89 PIKFYVE (0.80) PIKFYVEBRAFCSF1R

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 1/4885BRAF 65/4885CSF1R 3197/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A PIKFYVE 1/4885BRAF 65/4885CSF1R 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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