Sugi Predict

Sugi Predict / Compounds / SCHEMBL22024717

SCHEMBL22024717

SCHEMBL22024717

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1ccn2C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 9/20 0.72
▸ BTK Q06187 4/20 0.72
▸ ABL1 P00519 3/20 0.72
▸ BCR P11274 3/20 0.72
▸ DDR1 Q08345 3/20 0.72
▸ DDR2 Q16832 3/20 0.72
▸ ESYT2 A0FGR8 2/20 0.72
▸ NBAS A2RRP1 2/20 0.72
▸ CNOT1 A5YKK6 2/20 0.72
▸ TBKBP1 A7MCY6 2/20 0.72
▸ AGPS O00116 2/20 0.72
▸ MYO1F O00160 2/20 0.72
▸ SNAP23 O00161 2/20 0.72
▸ AP3B1 O00203 2/20 0.72
▸ PSMD12 O00232 2/20 0.72
▸ BMPR1B O00238 2/20 0.72
▸ PGRMC1 O00264 2/20 0.72
▸ CLIC1 O00299 2/20 0.72
▸ CDC7 O00311 2/20 0.72
▸ IPO5 O00410 2/20 0.72

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
SCHEMBL18804561 0.94 DDR1 (0.81) BRAFBTKABL1BCRDDR1
SCHEMBL4697866 0.90 BRAF (0.89) BRAFBTKABL1BCRDDR1
SCHEMBL22024869 0.89 PIKFYVE (0.73) BRAFBTKABL1BCRDDR1
SCHEMBL22025041 0.88 BRAF (0.63) BRAFBTKABL1BCRDDR1
SCHEMBL22024572 0.87 BRAF (0.67) BRAFBTKABL1BCRDDR1
SCHEMBL24532075 0.87 BRAF (0.89) BRAFBTKABL1BCRDDR1
SCHEMBL22024645 0.85 BRAF (0.68) BRAFBTKABL1BCRDDR1
SCHEMBL22024838 0.85 PIKFYVE (0.80) BRAFBTKABL1BCRDDR1
SCHEMBL4699731 0.84 ABL1 (1.00) BRAFBTKABL1BCRDDR1
SCHEMBL29380618 0.84 ABL1 (1.00) BRAFBTKABL1BCRDDR1

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 BRAF 65/4885BTK 594/4885ABL1 1429/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A BRAF 65/4885BTK 594/4885ABL1 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.