SCHEMBL16569731

SCHEMBL16569731

[CH2]CN1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 12/20 0.84
▸ SRC P12931 9/20 0.84
▸ LCK P06239 5/20 0.84
▸ EGFR P00533 3/20 0.84
▸ FYN P06241 3/20 0.84
▸ YES1 P07947 3/20 0.84
▸ LYN P07948 3/20 0.84
▸ HCK P08631 3/20 0.84
▸ KIT P10721 3/20 0.84
▸ BCR P11274 3/20 0.84
▸ MAPK14 Q16539 3/20 0.84
▸ PKMYT1 Q99640 3/20 0.84
▸ EPHB6 O15197 2/20 0.84
▸ CSF1R P07333 2/20 0.84
▸ RET P07949 2/20 0.84
▸ BRAF P15056 2/20 0.84
▸ EPHA1 P21709 2/20 0.84
▸ EPHA2 P29317 2/20 0.84
▸ EPHA3 P29320 2/20 0.84
▸ EPHA8 P29322 2/20 0.84

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
SCHEMBL13626293 0.94 ABL1 (0.89) ABL1SRCLCKEGFRFYN
SCHEMBL19362612 0.93 ABL1 (0.85) ABL1SRCLCKEGFRFYN
SCHEMBL28914780 0.93 ABL1 (0.88) ABL1SRCLCKEGFRFYN
SCHEMBL29750253 0.92 HDAC3 (0.86) ABL1SRCLCKEGFRFYN
Dasatinib Anhydrous SCHEMBL28350326 0.92 ABL1 (1.00) ABL1SRCLCKEGFRFYN
Dasatinib Anhydrous SCHEMBL29381185 0.92 ABL1 (1.00) ABL1SRCLCKEGFRFYN
SCHEMBL29618210 0.92 ABL1 (0.88) ABL1SRCLCKEGFRFYN
SCHEMBL3507589 0.92 ABL1 (0.88) ABL1SRCLCKEGFRFYN
SCHEMBL13164781 0.92 ABL1 (0.88) ABL1SRCLCKEGFRFYN
SCHEMBL14416600 0.92 HDAC3 (0.86) ABL1SRCLCKEGFRFYN

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108948128-B Catalyst-free hydrazone-linked polypeptide or protein chemical modification method based on electron-deficient benzaldehyde 中国科学技术大学 2021-10-01 — — CN disclosed
US-20210085700-A1 TARGETED THERAPEUTICS MADRIGAL PHARMACEUTICALS, INC. 2021-03-25 — — US disclosed
EP-3738594-A1 TARGETED THERAPEUTICS HAVING AN HSP90 LIGAND AS BINDING MOIETY Madrigal Pharmaceuticals, Inc. (US) 2020-11-18 — — EP disclosed
US-10828315-B2 Targeted therapeutics MADRIGAL PHARMACEUTICALS, INC. (US) 2020-11-10 — — US disclosed
EP-3035938-B1 TARGETED THERAPEUTICS MADRIGAL PHARMACEUTICALS INC (US) 2020-08-19 — — EP disclosed
US-20170056510-A1 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. (US) 2017-03-02 — — US disclosed
EP-3035938-A1 TARGETED THERAPEUTICS Synta Pharmaceuticals Corp. (US) 2016-06-29 — — EP disclosed
WO-2015038649-A1 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. (US) 2015-03-19 — — WO 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 (3 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-20210085700-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 ABL1 113/4885SRC 54/4885LCK 301/4885
US-10828315-B2 Targeted therapeutics CDC37, HSP90AB1, HSP90B1 ABL1 113/4885SRC 54/4885LCK 301/4885
US-20170056510-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 ABL1 113/4885SRC 54/4885LCK 301/4885

“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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