SCHEMBL1865702

SCHEMBL1865702

[c]1ccccc1Cn1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 15/20 0.56
▸ CYP11B2 P19099 12/20 0.56
▸ CYP19A1 P11511 7/20 0.56
▸ POLB P06746 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ TBXAS1 P24557 1/20 0.56
▸ QPCT Q16769 1/20 0.56
▸ CYP4Z1 Q86W10 1/20 0.56
▸ QPCTL Q9NXS2 1/20 0.56
▸ CYP17A1 P05093 1/20 0.50
▸ CYP2A6 P11509 1/20 0.46
▸ CYP2B6 P20813 1/20 0.46

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
SCHEMBL7390727 0.79 CYP11B1 (0.61) CYP11B1CYP11B2CYP19A1POLBCYP1A2
SCHEMBL28750656 0.77 CYP11B1 (0.55) CYP11B1CYP11B2CYP19A1POLBCYP1A2
SCHEMBL7214592 0.76 CYP11B1 (0.55) CYP11B1CYP11B2CYP19A1POLBCYP1A2
SCHEMBL15179016 0.74 CYP11B1 (0.76) CYP11B1CYP11B2CYP19A1POLBCYP1A2
SCHEMBL30523908 0.74 CYP11B1 (0.76) CYP11B1CYP11B2CYP19A1POLBCYP1A2
SCHEMBL30523909 0.74 CYP11B1 (0.76) CYP11B1CYP11B2CYP19A1POLBCYP1A2
SCHEMBL8722517 0.73 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1POLBCYP1A2
SCHEMBL9221130 0.72 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1POLBCYP1A2
SCHEMBL7390725 0.72 CYP11B1 (0.62) CYP11B1CYP11B2CYP19A1POLBCYP1A2
SCHEMBL22063900 0.72 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1POLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066647-B1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2011-11-09 — — EP claimed
US-6239220-B1 Recovery of triarylmethyl halide protecting groups cleaved during oligonucleotide synthesis ISIS PHARMACEUTICALS, INC. 2001-05-29 — — US claimed
US-6124484-A Recovery of triarylmethyl halide protecting groups cleaved during oligonucleotide synthesis ISIS PHARMACEUTICALS, INC. (US) 2000-09-26 — — US claimed
WO-2000004062-A1 RECOVERY OF TRIARYLMETHYL HALIDE PROTECTING GROUPS CLEAVED DURING OLIGONUCLEOTIDE SYNTHESIS ISIS PHARMACEUTICALS, INC. (US) 2000-01-27 — — WO claimed
CN-107643351-A A kind of method of bromo-succinimide and succimide content in detection sodium ozagrel bulk drug 浙江科瑞医药科技有限公司 2018-01-30 — — CN disclosed
CN-103070861-A Pharmaceutical composition and application of same in preparation of medicines used for treating cerebrovascular diseases JIANGSU SIMCERE PHARM RES CO 2013-05-01 — — CN disclosed
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 — — WO disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — US disclosed
EP-2125755-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis Ag (CH) 2009-12-02 — — EP disclosed
WO-2008079988-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2008-07-03 — — WO disclosed
US-7235575-B2 Guanidine mimics as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-06-26 — — US disclosed
US-5064842-A Thromboxane Synthetase Inhibitors JOHN WYETH & BROTHER LIMITED (GB) 1991-11-12 — — US disclosed
EP-0428849-A2 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-29 — — EP disclosed
EP-0320984-A2 1,4-Dihydropyridine derivatives FUJIREBIO INC. (JP) 1989-06-21 — — EP disclosed
US-4831045-A Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 — — US disclosed
CN-88103408-A Process for preparing (1H-oxazol-1-ylmethyl) substituted benzotriazole derivatives — 1988-12-14 — — CN disclosed
US-4791126-A Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredients ONO PHARMACEUTICAL CO., LTD. (JP) 1988-12-13 — — US disclosed
EP-0047109-B1 RHODANINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND ALDOSE REDUCTASE INHIBITOR CONTAINING THE RHODANINE DERIVATIVES AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1985-01-02 — — EP disclosed
US-4464382-A Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1984-08-07 — — 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 (2 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 CYP11B1 2219/4885CYP11B2 2481/4885CYP19A1 2090/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 CYP11B1 1274/4885CYP11B2 1634/4885CYP19A1 1600/4885

“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