SCHEMBL5612899

SCHEMBL5612899

c1cc(-c2c[nH]nn2)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 7/20 0.39
▸ FYN P06241 1/20 0.39
▸ CYP2B6 P20813 3/20 0.39
▸ CYP2E1 P05181 2/20 0.39
▸ PDGFRB P09619 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ CCNB2 O95067 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34

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
SCHEMBL28657587 0.80 FYN (0.32) FYNPDGFRBCASP3SENP8SENP7
SCHEMBL28321743 0.79 CYP2A6 (0.38) CYP2A6CYP2B6CYP2E1PDGFRB
SCHEMBL13078874 0.75 METAP2 (0.32) NPC1
Thiophene SCHEMBL28181534 0.73 AKT1 (0.38) CYP2A6FYNCYP2B6CYP2E1NPC1
SCHEMBL5612895 0.72 LMNA (0.43) NPC1CYP3A4CYP2C9CYP2C19GSK3B
SCHEMBL2024760 0.71 — —
SCHEMBL9868 0.70 AKT1 (0.46) NPC1USP2ALDH1A1PKM
SCHEMBL87533 0.69 — —
SCHEMBL3480472 0.69 CTRC (0.33) CYP3A4CDK5
SCHEMBL3449914 0.69 CYP2A6 (0.41) CYP2A6FYNCYP2B6CYP2E1PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents SMITHKLINE BEECHAM CORPORATION 2005-01-06 — — US claimed
US-20030220371-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2003-11-27 — — US claimed
EP-1274424-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-09-17 — — EP claimed
EP-1274424-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-15 — — EP claimed
WO-2001078723-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-25 — — WO claimed
CN-110423239-A 1,3- oxazines and 1,2,3- triazole derivative and its synthetic method and application UNIV KUNMING SCIENCE & TECHNOLOGY 2019-11-08 — — CN disclosed
EP-2782922-B1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION BAYER IP GMBH (DE) 2017-12-20 — — EP disclosed
US-9593140-B2 Antibacterial tylosin derivatives and methods for their preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-03-14 — — US disclosed
US-20140349954-A1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION ELANCO ANIMAL HEALTH GMBH (DE) 2014-11-27 — — US disclosed
EP-2782922-A1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION Bayer Intellectual Property GmbH (DE) 2014-10-01 — — EP disclosed
WO-2013076169-A1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-30 — — WO disclosed
US-20070077641-A1 Methionine aminopeptidase and methods of use PALMER LESLIE 2007-04-05 — — US disclosed
WO-2006115845-A1 BENZOTHIOPHENE DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 — — WO disclosed
EP-1624849-A2 METHIONINE AMINOPEPTIDASE AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2006-02-15 — — EP disclosed
WO-2005016237-A2 METHIONINE AMINOPEPTIDASE AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2005-02-24 — — WO disclosed
US-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents SMITHKLINE BEECHAM CORPORATION 2005-01-06 — — US disclosed
US-20030220371-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2003-11-27 — — US disclosed
EP-1274424-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-09-17 — — EP disclosed
EP-1274424-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-15 — — EP disclosed
WO-2001078723-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-25 — — 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-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents METAP1, METAP2, DNPEP CYP2A6 3849/4885FYN 4274/4885CYP2B6 4031/4885
US-20030220371-A1 Compounds and methods METAP2, METAP1, DNPEP CYP2A6 2875/4885FYN 4543/4885CYP2B6 3399/4885
US-20140349954-A1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION MLN, TMSB10, TMSB4X CYP2A6 1058/4885FYN 3255/4885CYP2B6 865/4885

“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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