SCHEMBL6370745

SCHEMBL6370745

CC(C)(C)c1cccn2cnnc12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
TOP2A P11388 1/20 0.31
EGFR P00533 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
ALPG P10696 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HSD11B1 P28845 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
SCHEMBL21718352 0.83 NR1I2 (0.32) TSHREGFRHSD11B1
SCHEMBL749068 0.81 CA2 (0.38) CA2ALDH1A1TDP1POLBKDM4E
SCHEMBL6849253 0.75 ALDH1A1 (0.43) ALDH1A1TSHRPOLBKDM4EHSD17B10
SCHEMBL6370683 0.73 NUDT1 (0.42) CA2ALDH1A1TSHRTDP1KDM4E
SCHEMBL19438287 0.72 POLB (0.35) POLBTOP2AKDM4EMEN1CYP1A2
SCHEMBL9934485 0.71 POLB (0.34) POLBTOP2AKDM4EMEN1CYP1A2
SCHEMBL20689186 0.71 DHFR (0.36) ALDH1A1POLBTOP2AKDM4EMEN1
SCHEMBL2661787 0.71 PARP15 (0.35) CA2ALDH1A1TDP1POLBTOP2A
SCHEMBL25384563 0.70 KDM4E (0.40) CA2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6468439 0.70 TP53 (0.40) ALDH1A1TSHRPOLBTOP2AEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 US disclosed
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 US disclosed
US-11680064-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2023-06-20 US disclosed
US-11680064-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2023-06-20 US disclosed
EP-4180434-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-05-17 EP disclosed
US-20230038823-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2023-02-09 US disclosed
US-20230002414-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2023-01-05 US disclosed
US-11384085-B2 Modulators of ion channel receptors and uses thereof BIONOMICS LIMITED (AU) 2022-07-12 US disclosed
US-10603313-B2 Allosteric modulators of the mu opioid receptor Chiromics, LLC (US) 2020-03-31 US disclosed
US-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF Epizyme, Inc. 2020-02-06 US disclosed
US-20190030020-A1 Allosteric Modulators of the Mu Opioid Receptor Chiromics, LLC (US) 2019-01-31 US disclosed
US-9951043-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
US-20160108030-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-04-21 US disclosed
US-9029377-B2 Platelet-activating factor receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-12 US disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 US disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 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 (13 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-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 CA2 3807/4885ALDH1A1 3004/4885TSHR 1383/4885
US-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 CA2 3870/4885ALDH1A1 3650/4885TSHR 4881/4885
US-10603313-B2 Allosteric modulators of the mu opioid receptor OPRM1, OPRK1, OPRD1 CA2 4608/4885ALDH1A1 2533/4885TSHR 284/4885
US-20230002414-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF EZH2, EED, SUZ12 CA2 3791/4885ALDH1A1 1813/4885TSHR 4221/4885
US-20230038823-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 CA2 3870/4885ALDH1A1 3650/4885TSHR 4881/4885
US-20160108030-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 CA2 4692/4885ALDH1A1 351/4885TSHR 4738/4885
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP11B2, WEE2, CYP11B1 CA2 94/4885ALDH1A1 2001/4885TSHR 3347/4885
US-11384085-B2 Modulators of ion channel receptors and uses thereof TRPV1, TRPM8, TRPV2 CA2 378/4885ALDH1A1 3010/4885TSHR 1314/4885
US-20190030020-A1 Allosteric Modulators of the Mu Opioid Receptor OPRM1, OPRK1, OPRD1 CA2 3645/4885ALDH1A1 3558/4885TSHR 270/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD CA2 4656/4885ALDH1A1 372/4885TSHR 4662/4885
US-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF HNMT, BHMT, EHMT2 CA2 3733/4885ALDH1A1 180/4885TSHR 3183/4885
US-11680064-B2 Capsid inhibitors for the treatment of HIV HAVCR2, MAVS, CD4 CA2 3870/4885ALDH1A1 3650/4885TSHR 4881/4885
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 CA2 2264/4885ALDH1A1 4454/4885TSHR 3360/4885

“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.