SCHEMBL3484770

SCHEMBL3484770

CN(C(=O)OC(C)(C)C)c1ccc(Cl)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ PAX8 Q06710 1/20 0.37
▸ MT-CO2 P00403 1/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ ATR Q13535 1/20 0.33
▸ KAT8 Q9H7Z6 2/20 0.32
▸ KAT6A Q92794 1/20 0.32
▸ KAT5 Q92993 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TTK P33981 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CREBBP Q92793 1/20 0.30
▸ CKS1B P61024 1/20 0.30

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
SCHEMBL1120110 0.86 KMT2A (0.51) KMT2ALMNAPAX8MT-CO2ATR
SCHEMBL14752250 0.83 KMT2A (0.49) KMT2ALMNAMT-CO2ATRSYK
SCHEMBL26663206 0.82 KMT2A (0.48) KMT2ALMNAMT-CO2ATRSYK
SCHEMBL12675260 0.81 PAX8 (0.37) KMT2ALMNAPAX8BRD4TTK
SCHEMBL31709504 0.81 PAX8 (0.37) KMT2ALMNAPAX8BRD4SMN1; SMN2
SCHEMBL26188589 0.81 LMNA (0.47) KMT2ALMNAMT-CO2ATRSYK
SCHEMBL30548350 0.81 LMNA (0.47) KMT2ALMNAMT-CO2ATRSYK
SCHEMBL27506246 0.79 PAX8 (0.36) KMT2ALMNAPAX8BRD4HTR2C
SCHEMBL4039230 0.78 PAX8 (0.35) PAX8BRD4
SCHEMBL28875389 0.77 PAX8 (0.39) KMT2ALMNAPAX8MT-CO2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3262036-B1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2023-09-13 — — EP disclosed
EP-3262036-B1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2023-09-13 — — EP disclosed
US-10308614-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-06-04 — — US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 — — US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 — — US disclosed
US-9604960-B2 Aryl, heteroaryl, and heterocycle substituted tetrahydroisoquinolines and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2017-03-28 — — US disclosed
WO-2016138114-A1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-09-01 — — WO disclosed
US-9034899-B2 Aryl, heteroaryl, and heterocycle substituted tetrahydroisoquinolines and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-05-19 — — US disclosed
US-20150126517-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2015-05-07 — — US disclosed
EP-2429295-B1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2013-12-25 — — EP disclosed
US-20100292242-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 — — 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-20100292242-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF NLN, HTR3B, HTR2C KMT2A 931/4885LMNA 2931/4885PAX8 4772/4885
US-20150126517-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF NLN, HTR3B, HTR2C KMT2A 931/4885LMNA 2931/4885PAX8 4772/4885
US-10308614-B2 Therapeutic compounds and uses thereof SMARCC1, SMARCC2, SMARCA4 KMT2A 489/4885LMNA 1055/4885PAX8 1657/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 KMT2A 489/4885LMNA 1055/4885PAX8 1657/4885

“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.

Send feedback