Sugi Predict

Sugi Predict / Compounds / SCHEMBL915093

SCHEMBL915093

SCHEMBL915093

COc1cccc2c1C(=O)NCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 3/20 0.47
▸ PARP11 Q9NR21 3/20 0.47
▸ PARP1 P09874 2/20 0.47
▸ PDPK1 O15530 1/20 0.47
▸ GRM5 P41594 2/20 0.46
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ PDE4B Q07343 2/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ TOP1 P11387 1/20 0.41
▸ POLL Q9UGP5 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ PNMT P11086 1/20 0.40
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39

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
SCHEMBL13027936 0.83 AURKA (0.50) PARP1HTR2AHTR2CHTR2BTOP1
SCHEMBL14660757 0.79 KDM4E (0.50) PARP10PARP1GRM5HTR2AHTR2C
SCHEMBL15813555 0.78 HTR2C (0.53) PARP10PARP11PARP1PDPK1GRM5
SCHEMBL15814243 0.78 PARP10 (0.41) PARP10PARP11PARP1PDPK1GRM5
SCHEMBL15814852 0.78 PARP10 (0.41) PARP10PARP11PARP1PDPK1GRM5
SCHEMBL12714991 0.77 PARP10 (0.54) PARP10PARP11PARP1PDPK1GRM5
SCHEMBL6488514 0.76 KMT2A (0.46) HTR2AHTR2CHTR2BCYP19A1CYP11B1
SCHEMBL6488509 0.76 KMT2A (0.46) HTR2AHTR2CHTR2BCYP19A1CYP11B1
SCHEMBL6488518 0.76 KMT2A (0.46) HTR2AHTR2CHTR2BCYP19A1CYP11B1
SCHEMBL19679225 0.75 MAPKAPK2 (0.37) PARP10PARP11PARP1PDPK1GRM5

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020163236-A1 TREATING LONG QT SYNDROME THE GENERAL HOSPITAL CORPORATION (US) 2020-08-13 — — WO disclosed
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 — — US disclosed
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 — — US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 — — US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 — — US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 — — US disclosed
EP-2061763-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATES JANSSEN PHARMACEUTICA NV (BE) 2016-03-16 — — EP disclosed
WO-2015158310-A1 TYROSINE KINASE INHIBITOR AND USES THEREOF 山东轩竹医药科技有限公司 2015-10-22 — — WO disclosed
EP-1697354-B1 ISOTHIAZOLE DIOXIDES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME (US) 2013-08-07 — — EP disclosed
EP-1539678-B1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1, 2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME (US) 2012-09-05 — — EP disclosed
CN-1305852-C Diaryl ethers as opioid receptor antagonists LILLY CO ELI (US) 2007-03-21 — — CN disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 — — US disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 — — US disclosed
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY 2006-09-28 — — US disclosed
CN-1681498-A Diaryl ethers as opioid receptor antagonist LILLY CO ELI (US) 2005-10-12 — — CN disclosed
EP-1562595-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-08-17 — — EP disclosed
WO-2004026305-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 2004-04-01 — — WO disclosed
EP-1171434-A1 TETRAHYDROISOQUINOLINYL-INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2002-01-16 — — EP disclosed
US-6245780-B1 PSYCHOLOGICAL DISORDERS AMERICAN HOME PRODUCTS CORP 2001-06-12 — — US disclosed
WO-2000064886-A1 TETRAHYDROISOQUINOLINYL-INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-02 — — 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 (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-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof EGFR, ERBB2, ABL1 PARP10 3569/4885PARP11 4455/4885PARP1 4789/4885
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, ACKR3, CXCR1 PARP10 3623/4885PARP11 3307/4885PARP1 3792/4885
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof EGFR, ERBB2, ABL1 PARP10 3569/4885PARP11 4455/4885PARP1 4789/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 PARP10 2434/4885PARP11 4021/4885PARP1 4750/4885

“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.