SCHEMBL22025012

SCHEMBL22025012

COc1cccc(NC(=O)c2ccc(C)c(Nc3cc(-c4cccnc4)nc4[nH]ccc34)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIKFYVE Q9Y2I7 7/20 0.70
▸ TSHR P16473 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ LMNA P02545 3/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.50
▸ ABL1 P00519 6/20 0.49
▸ PDGFRB P09619 4/20 0.49
▸ LCK P06239 3/20 0.49
▸ LYN P07948 3/20 0.49
▸ FLT3 P36888 3/20 0.49
▸ DDR2 Q16832 3/20 0.49
▸ BCR P11274 3/20 0.49

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
SCHEMBL22025127 0.92 PIKFYVE (0.72) PIKFYVELMNAABL1PDGFRBLCK
SCHEMBL22025126 0.90 PIKFYVE (0.74) PIKFYVELMNAABL1PDGFRBLCK
SCHEMBL22025456 0.89 PIKFYVE (0.75) PIKFYVELMNAABL1PDGFRBLCK
SCHEMBL22024994 0.89 PIKFYVE (0.72) PIKFYVELMNAMAPTABL1PDGFRB
SCHEMBL22024551 0.87 PIKFYVE (0.88) PIKFYVELMNAMAPTABL1PDGFRB
SCHEMBL22024553 0.84 PIKFYVE (0.80) PIKFYVELMNACYP3A4ABCG2ABL1
SCHEMBL22024870 0.82 PIKFYVE (1.00) PIKFYVELMNAABL1PDGFRBLCK
SCHEMBL30675086 0.82 PIKFYVE (1.00) PIKFYVELMNAABL1PDGFRBLCK
SCHEMBL22025024 0.81 PIKFYVE (0.64) PIKFYVELMNACYP3A4ABCG2ABL1
SCHEMBL22025138 0.81 PIKFYVE (0.65) PIKFYVETSHRSMN1; SMN2LMNAABCG2

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 1/4885TSHR 3497/4885SMN1; SMN2 2628/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A PIKFYVE 1/4885TSHR 3497/4885SMN1; SMN2 2628/4885

“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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