SCHEMBL22024670

SCHEMBL22024670

CC(C)Nc1cccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 18/20 0.61
▸ DDR2 Q16832 18/20 0.61
▸ NTRK1 P04629 2/20 0.61
▸ NTRK3 Q16288 2/20 0.61
▸ NTRK2 Q16620 2/20 0.61
▸ KIT P10721 1/20 0.58
▸ ABL1 P00519 10/20 0.58
▸ BCR P11274 5/20 0.58

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
SCHEMBL22065199 0.90 DDR1 (0.63) DDR1DDR2NTRK1NTRK3NTRK2
SCHEMBL29864626 0.86 DDR2 (0.71) DDR1DDR2NTRK1NTRK3NTRK2
SCHEMBL22065200 0.85 DDR2 (0.60) DDR1DDR2NTRK1NTRK3NTRK2
SCHEMBL22772380 0.83 DDR1 (0.67) DDR1DDR2NTRK1NTRK3NTRK2
SCHEMBL21974820 0.80 DDR2 (0.56) DDR1DDR2NTRK1NTRK3NTRK2
SCHEMBL13219735 0.79 DDR2 (0.68) DDR1DDR2NTRK1NTRK3NTRK2
SCHEMBL25339278 0.79 DDR2 (0.60) DDR1DDR2NTRK1NTRK3NTRK2
SCHEMBL30211944 0.79 DDR2 (0.60) DDR1DDR2NTRK1NTRK3NTRK2
SCHEMBL22025455 0.79 DDR2 (0.65) DDR1DDR2NTRK1NTRK3NTRK2
SCHEMBL2976022 0.79 KIT (0.68) DDR1DDR2NTRK1NTRK3NTRK2

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 DDR1 1422/4885DDR2 2054/4885NTRK1 425/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A DDR1 1422/4885DDR2 2054/4885NTRK1 425/4885

“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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