SCHEMBL22024644

SCHEMBL22024644

Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1ccn2C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 10/20 0.69
▸ BRAF P15056 10/20 0.62
▸ BCR P11274 6/20 0.62
▸ HCK P08631 4/20 0.62
▸ LYN P07948 4/20 0.62
▸ BTK Q06187 3/20 0.62
▸ EPHB6 O15197 3/20 0.62
▸ STK10 O94804 3/20 0.62
▸ LCK P06239 3/20 0.62
▸ FYN P06241 3/20 0.62
▸ YES1 P07947 3/20 0.62
▸ RET P07949 3/20 0.62
▸ PDGFRB P09619 3/20 0.62
▸ SRC P12931 3/20 0.62
▸ PHKG2 P15735 3/20 0.62
▸ NQO2 P16083 3/20 0.62
▸ EPHA1 P21709 3/20 0.62
▸ FECH P22830 3/20 0.62
▸ EPHA2 P29317 3/20 0.62
▸ EPHA3 P29320 3/20 0.62

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
SCHEMBL22024646 0.92 ABL1 (0.61) ABL1BRAFBCRHCKLYN
SCHEMBL18804561 0.87 DDR1 (0.81) ABL1BRAFBCRHCKLYN
SCHEMBL22025379 0.85 ABL1 (0.69) ABL1BRAFBCRHCKLYN
SCHEMBL22024717 0.83 BRAF (0.72) ABL1BRAFBCRHCKLYN
SCHEMBL22025467 0.83 ABL1 (0.71) ABL1BRAFBCRLYNRET
SCHEMBL1653558 0.82 ABL1 (0.79) ABL1BRAFBCRHCKLYN
SCHEMBL22024645 0.79 BRAF (0.68) ABL1BRAFBCRHCKLYN
SCHEMBL24532029 0.78 ABL1 (0.75) ABL1BRAFBCRHCKLYN
SCHEMBL29728036 0.78 ABL1 (0.75) ABL1BRAFBCRHCKLYN
SCHEMBL4700123 0.78 ABL1 (0.77) ABL1BRAFBCRHCKLYN

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 1429/4885BRAF 65/4885BCR 1416/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A ABL1 1429/4885BRAF 65/4885BCR 1416/4885

“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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