Bi-224436

Bi-224436

SCHEMBL12987894

Cc1nc2ccccc2c(-c2ccc3c4c(ccnc24)CCO3)c1[C@H](OC(C)(C)C)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 1.00
▸ PSIP1 O75475 1/20 0.46
▸ NR1I2 O75469 1/20 0.39
▸ EDNRA P25101 1/20 0.35
▸ MAPK14 Q16539 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
Bi-224436 SCHEMBL29450566 1.00 CYP3A4 (1.00) CYP3A4PSIP1NR1I2EDNRAMAPK14
SCHEMBL13191166 0.93 CYP3A4 (0.87) CYP3A4PSIP1NR1I2EDNRAMAPK14
SCHEMBL13191540 0.92 CYP3A4 (0.85) CYP3A4PSIP1NR1I2EDNRAMAPK14
SCHEMBL12992220 0.92 CYP3A4 (0.85) CYP3A4PSIP1NR1I2MAPK14
SCHEMBL15093247 0.89 CYP3A4 (0.80) CYP3A4PSIP1NR1I2EDNRAMAPK14
SCHEMBL15093483 0.89 CYP3A4 (0.80) CYP3A4PSIP1NR1I2EDNRAMAPK14
SCHEMBL15093484 0.89 CYP3A4 (0.80) CYP3A4PSIP1NR1I2EDNRAMAPK14
SCHEMBL1699485 0.89 CYP3A4 (0.80) CYP3A4PSIP1NR1I2MAPK14
SCHEMBL1699253 0.89 CYP3A4 (0.80) CYP3A4PSIP1NR1I2MAPK14
SCHEMBL1699486 0.89 CYP3A4 (0.80) CYP3A4PSIP1NR1I2MAPK14

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
EP-3875078-A1 COMPOUNDS FOR THE TREATMENT OF COVID-19 Dompe' Farmaceutici S.P.A. (IT) 2021-09-08 — — EP claimed
WO-2023183472-A1 ANTIVIRAL PRODRUGS AND USE THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2023-09-28 — — WO disclosed
EP-3875078-A1 COMPOUNDS FOR THE TREATMENT OF COVID-19 Dompe' Farmaceutici S.P.A. (IT) 2021-09-08 — — EP disclosed
EP-2220046-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES INC (US) 2014-06-18 — — EP disclosed
WO-2014055603-A1 PROCESS FOR THE PREPARATION OF AN HIV INTEGRASE INHIBITOR GILEAD SCIENCES, INC. (US) 2014-04-10 — — WO disclosed
WO-2014055618-A1 SOLID STATE FORMS OF HIV INHIBITOR: HEMI-SUCCINATE OF (2S)-2-TERT-BUTOXY-2-(4-(2,3-DIHYDROPYRANO[4,3,2-DE]QUINOLIN-7-YL)-2-METHYLQUINOLIN-3-YL)ACETIC ACID) GILEAD SCIENCES, INC. (US) 2014-04-10 — — WO disclosed
US-20140094609-A1 PROCESS FOR THE PREPARATION OF AN HIV INTEGRASE INHIBITOR GILEAD SCIENCES INC (US) 2014-04-03 — — US disclosed
US-20140094486-A1 SOLID STATE FORMS OF HIV INHIBITOR GILEAD SCIENCES INC (US) 2014-04-03 — — US disclosed
US-20140094485-A1 SOLID STATE FORMS OF HIV INHIBITOR GILEAD SCIENCES, INC. 2014-04-03 — — US disclosed
US-20140094610-A1 PROCESS FOR THE PREPARATION OF AN HIV INTEGRASE INHIBITOR GILEAD SCIENCES INC (US) 2014-04-03 — — US disclosed
EP-2694160-A1 SOLID STATE FORMS OF HIV INHIBITOR Gilead Sciences, Inc. (US) 2014-02-12 — — EP disclosed
EP-2694160-A1 SOLID STATE FORMS OF HIV INHIBITOR Gilead Sciences, Inc. (US) 2014-02-12 — — EP disclosed
EP-2694479-A1 PROCESS FOR THE PREPARATION OF AN HIV INTEGRASE INHIBITOR Gilead Sciences, Inc. (US) 2014-02-12 — — EP disclosed
EP-2694479-A1 PROCESS FOR THE PREPARATION OF AN HIV INTEGRASE INHIBITOR Gilead Sciences, Inc. (US) 2014-02-12 — — EP disclosed
WO-2012138670-A1 PROCESS FOR THE PREPARATION OF AN HIV INTEGRASE INHIBITOR GILEAD SCIENCES, INC. (US) 2012-10-11 — — WO disclosed
WO-2012138669-A1 SOLID STATE FORMS OF HIV INHIBITOR GILEAD SCIENCES, INC. (US) 2012-10-11 — — WO disclosed
WO-2012138670-A1 PROCESS FOR THE PREPARATION OF AN HIV INTEGRASE INHIBITOR GILEAD SCIENCES, INC. (US) 2012-10-11 — — WO disclosed
WO-2012138669-A1 SOLID STATE FORMS OF HIV INHIBITOR GILEAD SCIENCES, INC. (US) 2012-10-11 — — WO disclosed
WO-2012138669-A1 SOLID STATE FORMS OF HIV INHIBITOR GILEAD SCIENCES, INC. (US) 2012-10-11 — — WO disclosed
WO-2012138670-A1 PROCESS FOR THE PREPARATION OF AN HIV INTEGRASE INHIBITOR GILEAD SCIENCES, INC. (US) 2012-10-11 — — 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-20140094609-A1 PROCESS FOR THE PREPARATION OF AN HIV INTEGRASE INHIBITOR NQO2, DUT, CYP51A1 CYP3A4 49/4885PSIP1 3086/4885NR1I2 2763/4885
US-20140094485-A1 SOLID STATE FORMS OF HIV INHIBITOR SDHA, SDHB, IDH1 CYP3A4 426/4885PSIP1 2794/4885NR1I2 2841/4885
US-20140094610-A1 PROCESS FOR THE PREPARATION OF AN HIV INTEGRASE INHIBITOR NQO2, IDH3B, IDH1 CYP3A4 64/4885PSIP1 2247/4885NR1I2 3203/4885
US-20140094486-A1 SOLID STATE FORMS OF HIV INHIBITOR ACIN1, SAMHD1, SUDS3 CYP3A4 458/4885PSIP1 2893/4885NR1I2 3177/4885

“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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