SCHEMBL22024709

SCHEMBL22024709

CN1CCN(Cc2cc(NC(=O)c3cccc(Nc4cc(-c5ccncc5)nc5[nH]ccc45)c3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DDR2 Q16832 14/20 0.52
▸ DDR1 Q08345 13/20 0.52
▸ ABL1 P00519 9/20 0.52
▸ NTRK1 P04629 3/20 0.52
▸ NTRK3 Q16288 3/20 0.52
▸ NTRK2 Q16620 3/20 0.52
▸ KIT P10721 3/20 0.52
▸ BCR P11274 5/20 0.49
▸ PIKFYVE Q9Y2I7 1/20 0.49
▸ EGFR P00533 1/20 0.48
▸ BRAF P15056 1/20 0.48
▸ CSF1R P07333 1/20 0.47

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
SCHEMBL22024549 0.93 PIKFYVE (0.59) DDR2DDR1ABL1NTRK1NTRK3
SCHEMBL22024548 0.90 DDR2 (0.56) DDR2DDR1ABL1NTRK1NTRK3
SCHEMBL22024550 0.84 PIKFYVE (0.65) DDR2DDR1ABL1NTRK1NTRK3
SCHEMBL22065350 0.80 DDR2 (0.57) DDR2DDR1ABL1NTRK1NTRK3
SCHEMBL21943551 0.80 NTRK3 (0.49) DDR2DDR1ABL1NTRK1NTRK3
SCHEMBL22024868 0.78 PIKFYVE (0.64) ABL1KITBCRPIKFYVEEGFR
SCHEMBL21943688 0.77 DDR2 (0.49) DDR2DDR1ABL1NTRK1NTRK3
SCHEMBL22065199 0.77 DDR1 (0.63) DDR2DDR1ABL1NTRK1NTRK3
SCHEMBL22024670 0.77 DDR1 (0.61) DDR2DDR1ABL1NTRK1NTRK3
SCHEMBL22024706 0.75 PIKFYVE (0.78) DDR2DDR1ABL1NTRK1KIT

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 DDR2 2054/4885DDR1 1422/4885ABL1 1429/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A DDR2 2054/4885DDR1 1422/4885ABL1 1429/4885

“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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