SCHEMBL22024720

SCHEMBL22024720

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2ccoc2)nc2c1ncn2C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.54
BRAF P15056 14/20 0.51
KDR P35968 2/20 0.50
ABL1 P00519 2/20 0.50
BTK Q06187 2/20 0.50
ESYT2 A0FGR8 1/20 0.50
PLEKHG3 A1L390 1/20 0.50
NBAS A2RRP1 1/20 0.50
CNOT1 A5YKK6 1/20 0.50
TBKBP1 A7MCY6 1/20 0.50
MYO1G B0I1T2 1/20 0.50
AGPS O00116 1/20 0.50
MYO1F O00160 1/20 0.50
SNAP23 O00161 1/20 0.50
AP3B1 O00203 1/20 0.50
PSMD12 O00232 1/20 0.50
BMPR1B O00238 1/20 0.50
PGRMC1 O00264 1/20 0.50
CLIC1 O00299 1/20 0.50
CDC7 O00311 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
SCHEMBL22025317 0.94 BRAF (0.57) GGPS1BRAFKDRABL1BTK
SCHEMBL22025359 0.90 GGPS1 (0.47) GGPS1BRAFKDRABL1BTK
SCHEMBL22025132 0.89 BRAF (0.59) GGPS1BRAFKDRABL1BTK
SCHEMBL22024572 0.87 BRAF (0.67) GGPS1BRAFKDRABL1BTK
SCHEMBL22025134 0.87 GGPS1 (0.54) GGPS1BRAFKDRABL1BTK
SCHEMBL22024574 0.85 BRAF (0.53) GGPS1BRAFKDRABL1BTK
SCHEMBL22025370 0.85 BRAF (0.55) BRAFKDRRAF1TEKCSF1R
SCHEMBL22025476 0.83 BRAF (0.63) GGPS1BRAFKDRABL1BTK
SCHEMBL22025031 0.81 BRAF (0.75) GGPS1BRAFKDRABL1BTK
SCHEMBL22024571 0.81 BRAF (0.57) GGPS1BRAFKDRABL1BTK

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 GGPS1 711/4885BRAF 65/4885KDR 148/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A GGPS1 711/4885BRAF 65/4885KDR 148/4885

“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.