SCHEMBL17544451

SCHEMBL17544451

C#CC(C)(C)n1ccnc1C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31
FDPS P14324 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL17621579 0.82 ALDH1A1 (0.32) ALDH1A1POLBKMT2AFDPSCYP2E1
SCHEMBL17616430 0.78 TLR7 (0.32)
SCHEMBL2930973 0.76 ALDH1A1 (0.38) ALDH1A1POLBKMT2ATSHRFDPS
SCHEMBL17545157 0.75 KMT2A (0.32) POLBKMT2A
SCHEMBL19622429 0.72 KMT2A (0.35) ALDH1A1POLBKMT2ATSHRFDPS
SCHEMBL28036586 0.70 ALDH1A1 (0.36) ALDH1A1POLBKMT2ATSHRFDPS
SCHEMBL14459642 0.69 ALDH1A1 (0.41) ALDH1A1POLBKMT2ATSHRFDPS
SCHEMBL17616423 0.69 ALDH1A1 (0.33) ALDH1A1POLBKMT2AFDPSCYP2E1
SCHEMBL23867596 0.68 SMN1; SMN2 (0.38) ALDH1A1KMT2ATSHRFDPS
Ammonia Solution, Strong SCHEMBL29243780 0.68 ALDH1A1 (0.35) ALDH1A1POLBKMT2ATSHRFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976072-B2 Diacylglycerol kinase modulating compounds GILEAD SCIENCES, INC. (US) 2024-05-07 US disclosed
EP-4359415-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-05-01 EP disclosed
CN-117355531-A Diacylglycerol kinase modulating compounds 吉利德科学公司 2024-01-05 CN disclosed
US-20230060354-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-03-02 US disclosed
WO-2022271684-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-29 WO disclosed
WO-2022271684-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-29 WO disclosed
EP-3186239-B1 ANTIRETROVIRAL AGENTS GILEAD SCIENCES INC (US) 2018-10-10 EP disclosed
US-9873680-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-23 US disclosed
US-9873680-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-23 US disclosed
US-9873680-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-23 US disclosed
EP-3186239-A1 ANTIRETROVIRAL AGENTS Gilead Sciences, Inc. (US) 2017-07-05 EP disclosed
WO-2016033243-A9 ANTIRETROVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2016-05-19 WO disclosed
WO-2016033243-A9 ANTIRETROVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2016-05-19 WO disclosed
US-20160083368-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-24 US disclosed
US-20160083368-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-24 US disclosed
US-20160083368-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-24 US disclosed
WO-2016033243-A1 ANTIRETROVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2016-03-03 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 (3 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-20160083368-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD ALDH1A1 372/4885POLB 905/4885KMT2A 4702/4885
US-20230060354-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK ALDH1A1 3992/4885POLB 3212/4885KMT2A 2327/4885
US-11976072-B2 Diacylglycerol kinase modulating compounds DGKG, DGKB, DGKK ALDH1A1 4095/4885POLB 3027/4885KMT2A 2566/4885

“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.