SCHEMBL22025379

SCHEMBL22025379

Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2cc[nH]c12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 7/20 0.69
▸ PIKFYVE Q9Y2I7 5/20 0.63
▸ HCK P08631 4/20 0.58
▸ BTK Q06187 3/20 0.58
▸ NR2C2 P49116 1/20 0.58
▸ BRAF P15056 9/20 0.56
▸ LYN P07948 4/20 0.55
▸ EPHB6 O15197 3/20 0.55
▸ STK10 O94804 3/20 0.55
▸ LCK P06239 3/20 0.55
▸ FYN P06241 3/20 0.55
▸ YES1 P07947 3/20 0.55
▸ RET P07949 3/20 0.55
▸ PDGFRB P09619 3/20 0.55
▸ BCR P11274 3/20 0.55
▸ SRC P12931 3/20 0.55
▸ PHKG2 P15735 3/20 0.55
▸ NQO2 P16083 3/20 0.55
▸ EPHA1 P21709 3/20 0.55
▸ FECH P22830 3/20 0.55

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
SCHEMBL22024718 0.87 ABL1 (0.71) ABL1PIKFYVEHCKBTKNR2C2
SCHEMBL22025035 0.86 PIKFYVE (0.68) ABL1PIKFYVEHCKBTKBRAF
SCHEMBL22024644 0.85 ABL1 (0.69) ABL1HCKBTKNR2C2BRAF
SCHEMBL22024748 0.83 KIT (0.71) ABL1BRAFLYNRETBCR
SCHEMBL1653558 0.82 ABL1 (0.79) ABL1HCKBTKNR2C2BRAF
SCHEMBL22024570 0.81 PIKFYVE (0.77) ABL1PIKFYVEHCKBTKBRAF
SCHEMBL22025039 0.81 PIKFYVE (0.60) ABL1PIKFYVEHCKBTKBRAF
SCHEMBL22024878 0.79 BRAF (0.67) BRAF
SCHEMBL22024628 0.79 PIKFYVE (0.60) ABL1PIKFYVEHCKBTKBRAF
SCHEMBL22024623 0.79 PIKFYVE (0.62) ABL1PIKFYVEHCKBTKBRAF

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 ABL1 1429/4885PIKFYVE 1/4885HCK 740/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A ABL1 1429/4885PIKFYVE 1/4885HCK 740/4885

“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.

Send feedback