Sugi Predict

Sugi Predict / Compounds / SCHEMBL22025046

SCHEMBL22025046

SCHEMBL22025046

Cc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2cc[nH]c12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIKFYVE Q9Y2I7 11/20 0.78
▸ BRAF P15056 7/20 0.55
▸ ABL1 P00519 3/20 0.55
▸ ESYT2 A0FGR8 2/20 0.55
▸ NBAS A2RRP1 2/20 0.55
▸ CNOT1 A5YKK6 2/20 0.55
▸ TBKBP1 A7MCY6 2/20 0.55
▸ AGPS O00116 2/20 0.55
▸ MYO1F O00160 2/20 0.55
▸ SNAP23 O00161 2/20 0.55
▸ AP3B1 O00203 2/20 0.55
▸ PSMD12 O00232 2/20 0.55
▸ BMPR1B O00238 2/20 0.55
▸ PGRMC1 O00264 2/20 0.55
▸ CLIC1 O00299 2/20 0.55
▸ CDC7 O00311 2/20 0.55
▸ IPO5 O00410 2/20 0.55
▸ PLK4 O00444 2/20 0.55
▸ COXFA4 O00483 2/20 0.55
▸ NOP56 O00567 2/20 0.55

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
SCHEMBL22025138 0.91 PIKFYVE (0.65) PIKFYVEBRAFABL1ESYT2NBAS
SCHEMBL22025035 0.89 PIKFYVE (0.68) PIKFYVEBRAFABL1ESYT2NBAS
SCHEMBL22024628 0.88 PIKFYVE (0.60) PIKFYVEBRAFABL1ESYT2NBAS
SCHEMBL22024623 0.88 PIKFYVE (0.62) PIKFYVEBRAFABL1ESYT2NBAS
SCHEMBL22024658 0.88 PIKFYVE (1.00) PIKFYVEBRAFABL1LCKLYN
SCHEMBL22024629 0.87 PIKFYVE (0.61) PIKFYVEBRAFABL1ESYT2NBAS
SCHEMBL22025039 0.87 PIKFYVE (0.60) PIKFYVEBRAFABL1ESYT2NBAS
SCHEMBL22025334 0.86 PIKFYVE (0.60) PIKFYVEBRAFABL1ESYT2NBAS
SCHEMBL22024622 0.86 PIKFYVE (0.60) PIKFYVEBRAFABL1ESYT2NBAS
SCHEMBL22024586 0.86 PIKFYVE (0.60) PIKFYVEBRAFABL1ESYT2NBAS

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 65/4885ABL1 1429/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A PIKFYVE 1/4885BRAF 65/4885ABL1 1429/4885

“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.