SCHEMBL22024587

SCHEMBL22024587

Cn1ccc2nc(-c3cccc(NC(=S)Nc4cccc(C(F)(F)F)c4)c3)nc(Nc3cccnc3)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
LMNA P02545 5/20 0.44
CTSC P53634 3/20 0.44
PHGDH O43175 3/20 0.44
MAPK14 Q16539 3/20 0.44
ESYT2 A0FGR8 2/20 0.44
NBAS A2RRP1 2/20 0.44
CNOT1 A5YKK6 2/20 0.44
TBKBP1 A7MCY6 2/20 0.44
AGPS O00116 2/20 0.44
MYO1F O00160 2/20 0.44
SNAP23 O00161 2/20 0.44
AP3B1 O00203 2/20 0.44
PSMD12 O00232 2/20 0.44
BMPR1B O00238 2/20 0.44
PGRMC1 O00264 2/20 0.44
CLIC1 O00299 2/20 0.44
CDC7 O00311 2/20 0.44
IPO5 O00410 2/20 0.44
PLK4 O00444 2/20 0.44

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
SCHEMBL22025047 0.92 KDR (0.49) KIF11LMNACTSCPHGDHMAPK14
SCHEMBL22025049 0.92 ABCG2 (0.48) LMNACTSCPHGDHEGFRMAPK1
SCHEMBL22024648 0.88 EPHB4 (0.52) LMNACTSCPHGDHMAPK14ESYT2
SCHEMBL22024855 0.84 KDR (0.53) LMNAABL1EGFRPRKCBINSR
SCHEMBL22025053 0.83 KDR (0.50) MAPK14AURKAABL1EGFRPRKCB
SCHEMBL22025050 0.80 KDM4E (0.46) LMNAABL1EGFRBCREPHB4
SCHEMBL22024647 0.80 EPHB4 (0.61) ABL1EGFRPRKCBINSRLCK
SCHEMBL22065373 0.80 PDE5A (0.46) LMNALATS1MAPK1HSD17B10ALDH1A1
SCHEMBL22066416 0.79 PDE5A (0.49) LMNALATS1ABL1EGFRBCR
SCHEMBL22025337 0.79 DDR1 (0.72) LMNACTSCPHGDHMAPK14ESYT2

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 2 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
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 KIF11 157/4885LMNA 3498/4885CTSC 1008/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A KIF11 157/4885LMNA 3498/4885CTSC 1008/4885

“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.