SCHEMBL22024558

SCHEMBL22024558

Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)nc2c1ccn2C

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 7/20 0.74
▸ KIT P10721 5/20 0.71
▸ CSF1R P07333 4/20 0.71
▸ LYN P07948 3/20 0.70
▸ BCR P11274 3/20 0.70
▸ BRAF P15056 6/20 0.69
▸ EGFR P00533 4/20 0.69
▸ RET P07949 3/20 0.64
▸ KIF5B P33176 1/20 0.63
▸ CCDC6 Q16204 1/20 0.63

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
SCHEMBL22024635 0.93 BRAF (0.69) ABL1KITCSF1RLYNBCR
SCHEMBL22025467 0.91 ABL1 (0.71) ABL1KITCSF1RLYNBCR
SCHEMBL22024637 0.90 KIT (0.68) ABL1KITCSF1RLYNBCR
SCHEMBL21974823 0.90 KIT (0.66) ABL1KITCSF1RLYNBCR
SCHEMBL21943018 0.89 RET (0.71) ABL1KITCSF1RLYNBCR
SCHEMBL22025015 0.88 ABL1 (0.74) ABL1KITCSF1RLYNBCR
SCHEMBL30010828 0.85 ABL1 (1.00) ABL1KITCSF1RLYNBCR
SCHEMBL27152247 0.85 ABL1 (1.00) ABL1KITCSF1RLYNBCR
SCHEMBL22024747 0.85 ABL1 (0.71) ABL1KITCSF1RLYNBCR
SCHEMBL21943633 0.84 RET (0.64) ABL1KITCSF1RLYNBCR

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 ABL1 1429/4885KIT 495/4885CSF1R 3197/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A ABL1 1429/4885KIT 495/4885CSF1R 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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