SCHEMBL22024821

SCHEMBL22024821

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1cc(-c2ccncc2)nc2sccc12

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIKFYVE Q9Y2I7 2/20 0.62
▸ BRAF P15056 12/20 0.62
▸ CSF1R P07333 3/20 0.56
▸ KDR P35968 2/20 0.55
▸ TEK Q02763 1/20 0.55
▸ POLB P06746 2/20 0.55
▸ KIT P10721 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ RAF1 P04049 1/20 0.49
▸ PDGFRB P09619 1/20 0.49
▸ PDGFRA P16234 1/20 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
SCHEMBL22025503 0.94 POLB (0.63) PIKFYVEBRAFCSF1RKDRTEK
SCHEMBL22024822 0.92 PIKFYVE (0.74) PIKFYVEBRAFCSF1RKDRTEK
SCHEMBL22024619 0.89 MAPT (0.56) PIKFYVEBRAFPOLBKDM4EMAPT
SCHEMBL22025088 0.88 MAPT (0.56) BRAFPOLBKDM4EMAPTNPSR1
SCHEMBL22024781 0.86 PIKFYVE (0.65) PIKFYVEBRAFCSF1RKDRTEK
SCHEMBL22024864 0.85 PIKFYVE (0.85) PIKFYVEBRAFCSF1RKDRTEK
SCHEMBL22024557 0.83 PIKFYVE (0.61) PIKFYVEBRAFCSF1RKDRTEK
SCHEMBL22024786 0.81 PIKFYVE (0.58) PIKFYVEBRAFCSF1RTEKKDM4E
SCHEMBL22024791 0.79 MEN1 (0.57) PIKFYVEBRAFCSF1RKDRKIT
SCHEMBL22024534 0.78 PIKFYVE (0.85) PIKFYVEBRAFCSF1RKDRTEK

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 65/4885CSF1R 3197/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A PIKFYVE 1/4885BRAF 65/4885CSF1R 3197/4885

“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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