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Sugi Predict / Compounds / SCHEMBL1146862

SCHEMBL1146862

SCHEMBL1146862

COC(=O)C(C)CCCN1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 9/20 0.77
▸ SRC P12931 8/20 0.77
▸ LCK P06239 5/20 0.77
▸ PKMYT1 Q99640 3/20 0.77
▸ EPHB6 O15197 2/20 0.77
▸ EGFR P00533 2/20 0.77
▸ FYN P06241 2/20 0.77
▸ CSF1R P07333 2/20 0.77
▸ YES1 P07947 2/20 0.77
▸ LYN P07948 2/20 0.77
▸ RET P07949 2/20 0.77
▸ HCK P08631 2/20 0.77
▸ KIT P10721 2/20 0.77
▸ BCR P11274 2/20 0.77
▸ BRAF P15056 2/20 0.77
▸ EPHA1 P21709 2/20 0.77
▸ EPHA2 P29317 2/20 0.77
▸ EPHA3 P29320 2/20 0.77
▸ EPHA8 P29322 2/20 0.77
▸ EPHB2 P29323 2/20 0.77

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
SCHEMBL24535531 0.90 ABL1 (0.85) ABL1SRCLCKPKMYT1EPHB6
SCHEMBL28935340 0.90 ABL1 (0.87) ABL1SRCLCKPKMYT1EPHB6
SCHEMBL29618215 0.90 ABL1 (0.87) ABL1SRCLCKPKMYT1EPHB6
SCHEMBL30428970 0.89 HDAC3 (0.84) ABL1SRCLCKPKMYT1EPHB6
SCHEMBL25208403 0.89 HDAC3 (0.84) ABL1SRCLCKPKMYT1EPHB6
SCHEMBL17663528 0.89 ABL1 (0.86) ABL1SRCLCKPKMYT1EPHB6
SCHEMBL25207528 0.89 ABL1 (0.91) ABL1SRCLCKPKMYT1EPHB6
SCHEMBL15984317 0.89 ABL1 (0.86) ABL1SRCLCKPKMYT1EPHB6
SCHEMBL30429951 0.89 ABL1 (0.91) ABL1SRCLCKPKMYT1EPHB6
SCHEMBL25232237 0.89 HDAC3 (0.85) ABL1SRCLCKPKMYT1EPHB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169244-B2 Tyrosine kinase inhibitors containing a zinc binding moiety CURIS, INC. (US) 2015-10-27 — — US disclosed
US-20140128410-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2014-05-08 — — US disclosed
US-8426419-B2 Tyrosine kinase inhibitors containing a zinc binding moiety CURIS, INC. (US) 2013-04-23 — — US disclosed
US-20110178095-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2011-07-21 — — US disclosed
US-7888361-B2 anticancer; inhibits both BCR-ABL and histone deacetylase activity; N-(2-chloro-6-methylphenyl)-2-(6-(4-(2-(hydroxyamino)-2-oxoethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide CURIS, INC. (US) 2011-02-15 — — US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 — — US disclosed
US-20080125440-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-05-29 — — 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 (4 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 ABL1 1691/4885SRC 901/4885LCK 969/4885
US-20110178095-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY LCK, ABL1, SRC ABL1 2/4885SRC 3/4885LCK 1/4885
US-20140128410-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY LCK, ABL1, SRC ABL1 2/4885SRC 3/4885LCK 1/4885
US-20080125440-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY LCK, ABL1, SRC ABL1 2/4885SRC 3/4885LCK 1/4885

“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.