SCHEMBL503340

SCHEMBL503340

C1COCC2(C1)CCNCC2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
CYP2D6 P10635 4/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2C9 P11712 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL16877393 0.88 CYP2C9 (0.42) ALDH1A1CYP2D6CYP3A4CYP2C19CYP2C9
SCHEMBL30128154 0.86 SLC6A2 (0.34) TSHR
SCHEMBL16877915 0.86 SLC6A2 (0.34) TSHR
SCHEMBL16877918 0.86 ALDH1A1 (0.31) ALDH1A1CYP2D6CYP3A4CYP2C19CYP2C9
SCHEMBL30127990 0.86 SLC6A2 (0.34) TSHR
SCHEMBL165850 0.85 MEN1 (0.35) CYP2C9MEN1KMT2AKDM4EGAA
Hydrochloric Acid SCHEMBL3412745 0.83 MEN1 (0.33) CYP2C9MEN1KMT2AKDM4EGAA
SCHEMBL16877360 0.83 MEN1 (0.46) CYP2C9MEN1KMT2AKDM4EGAA
SCHEMBL16503412 0.82
SCHEMBL15680849 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024083258-A1 KRAS G12C DEGRADATION AGENT, AND PREPARATION METHOD AND USE THEREFOR 上海领泰生物医药科技有限公司 2024-04-25 WO claimed
CN-117917416-A KRAS G12D degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 CN claimed
EP-2528910-B1 5-Alkynyl pyrimidines ahd their use as kinase inhibitors. BOEHRINGER INGELHEIM INT (DE) 2015-03-18 EP claimed
US-8618111-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-31 US claimed
EP-2528910-A1 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP claimed
US-20120028958-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US claimed
WO-2011092197-A1 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO claimed
EP-4606803-A1 KRAS G12D DEGRADATION AGENT, AND PREPARATION METHOD AND USE THEREFOR Leadingtac Pharmaceutical (Shaoxing) Co., Ltd. (CN) 2025-08-27 EP disclosed
US-20240391877-A1 COMPOUND AS INHIBITOR OF COMPLEMENT FACTOR D, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF WUHAN CREATERNA SCIENCE AND TECHNOLOGY CO.,LTD. (CN) 2024-11-28 US disclosed
EP-4410776-A1 COMPOUND AS INHIBITOR OF COMPLEMENT FACTOR D, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Wuhan Createrna Science and Technology Co.,Ltd. (CN) 2024-08-07 EP disclosed
WO-2024083258-A1 KRAS G12C DEGRADATION AGENT, AND PREPARATION METHOD AND USE THEREFOR 上海领泰生物医药科技有限公司 2024-04-25 WO disclosed
CN-117917416-A KRAS G12D degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 CN disclosed
WO-2023051793-A1 COMPOUND AS INHIBITOR OF COMPLEMENT FACTOR D, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 武汉朗来科技发展有限公司 2023-04-06 WO disclosed
US-20120028952-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092197-A1 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
WO-2011092198-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
WO-2010119264-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCÓLOGICAS (CNIO) (ES) 2010-10-21 WO disclosed
EP-1286967-B1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME (GB) 2006-09-27 EP disclosed
US-7105507-B2 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-25 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 (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-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents CNR2, CNR1, HTR1A ALDH1A1 1452/4885CYP2D6 422/4885CYP3A4 1179/4885
US-20120028958-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 ALDH1A1 79/4885CYP2D6 298/4885CYP3A4 1080/4885
US-20120028952-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 ALDH1A1 46/4885CYP2D6 220/4885CYP3A4 1251/4885
US-20240391877-A1 COMPOUND AS INHIBITOR OF COMPLEMENT FACTOR D, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF CFD, CFH, C9 ALDH1A1 2758/4885CYP2D6 410/4885CYP3A4 314/4885

“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.