SCHEMBL747251

SCHEMBL747251

[O-][n+]1cncc2cccnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.35
TSHR P16473 2/20 0.35
CCR1 P32246 2/20 0.35
CCR5 P51681 2/20 0.35
CCR8 P51685 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
MMP9 P14780 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
MMP8 P22894 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL4429040 0.75 LMNA (0.48) MMP2TSHRCCR1CCR5CCR8
SCHEMBL1571887 0.74 KDM4E (0.39) MMP2TSHRCCR1CCR5CCR8
SCHEMBL51544 0.69 ATM (0.41) HSP90AA1EGFRNPC1RAB9A
SCHEMBL9422646 0.69
SCHEMBL5894144 0.69 MMP2 (0.35) MMP2TSHRCCR1CCR5CCR8
SCHEMBL2361668 0.69 EGFR (0.44) KDM4EEGFR
Hydrochloric Acid SCHEMBL10501335 0.68 ATM (0.40) HSP90AA1EGFRNPC1RAB9A
SCHEMBL7657126 0.65 CYP2A6 (0.32) KDM4ELMNACYP3A4CYP2D6CYP2A6
SCHEMBL15349155 0.64 KDM4E (0.35) MMP2TSHRCCR1CCR5CCR8
SCHEMBL3577849 0.64 PSMD14 (0.33) PSMD14COPS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709853-A1 METHODS OF PREVENTING ON-TARGET GENOTOXICITY INDUCED BY NUCLEASES Institut National de la Santé et de la Recherche Médicale (FR) 2026-03-18 EP disclosed
WO-2024235844-A1 METHODS OF PREVENTING ON-TARGET GENOTOXICITY INDUCED BY NUCLEASES Institut National de la Santé et de la Recherche Médicale (FR) 2024-11-21 WO disclosed
WO-2023174352-A1 CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF 北京药明博锐生物科技有限公司 2023-09-21 WO disclosed
WO-2023038858-A1 METHODS AND COMPOSITIONS FOR DIAGNOSING AND TREATING COVID-19 Edifice Health, Inc. (US) 2023-03-16 WO disclosed
WO-2023027951-A1 TREATMENT OF DISEASE USING IAGE AND MIG Edifice Health, Inc. (US) 2023-03-02 WO disclosed
US-20230042936-A1 PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES AS CDK INHIBITORS FUNDACION DEL SECTOR PUBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (F.S.P. CNIO) (ES) 2023-02-09 US disclosed
EP-4009858-A1 TREATMENT OF PREVENTION OF CARDIOVASCULAR DISEASE Edifice Health, Inc. (US) 2022-06-15 EP disclosed
US-11359011-B2 Treatment and prevention of cardiovascular disease Edifice Health, Inc. (US) 2022-06-14 US disclosed
WO-2022093763-A1 METHODS AND COMPOSITIONS FOR DIAGNOSING AND TREATING FRAILTY Edifice Health, Inc. (US) 2022-05-05 WO disclosed
US-20210380672-A1 Treatment and Prevention of Cardiovascular Disease Edifice Health, Inc. (US) 2021-12-09 US disclosed
US-6964967-B2 Substituted pyrido[2,3-d]pyrimidines and methods for their use AMGEN, INC. (US) 2005-11-15 US disclosed
US-20050075333-A1 CXCR3 antagonists TULARIK INC. 2005-04-07 US disclosed
US-6794379-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; SKIN DISORDERS TULARIK INC. 2004-09-21 US disclosed
EP-1343505-A1 CXCR3 ANTAGONISTS Tularik Inc. (US) 2003-09-17 EP disclosed
US-20030069234-A1 CXCR3 antagonists AMGEN INC. 2003-04-10 US disclosed
US-20030055054-A1 CXCR3 antagonists TULARIK, INC. 2003-03-20 US disclosed
US-20020169159-A1 An acetamide derivative is useful for treatment of inflammatory and immune conditions and diseases; modulates the expressin and/or function of a chemokine receptor TULARIK INC. (US) 2002-11-14 US disclosed
WO-2002083143-A1 CXCR3 ANTAGONISTS TULARIK INC. (US) 2002-10-24 WO disclosed
US-4859672-A Pyrido[2,3-d]pyrimidinone and imidazo[4,5-b]pyrimidinone RORER PHARMACEUTICAL CORPORATION (US) 1989-08-22 US disclosed
US-4009166-A ANTIINFLAMMATORY AGENTS, ANALGESICS, CNS DEPRESSANTS HISAMITSU PHARMACEUTICAL CO., INC. (JA) 1977-02-22 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 (7 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-20050075333-A1 CXCR3 antagonists CXCR3, CXCR1, CCR5 MMP2 1370/4885TSHR 975/4885CCR1 9/4885
US-20030069234-A1 CXCR3 antagonists CXCR3, CXCR1, CCR5 MMP2 1370/4885TSHR 975/4885CCR1 9/4885
US-20020169159-A1 An acetamide derivative is useful for treatment of inflammatory and immune conditions and diseases; modulates the expressin and/or function of a chemokine receptor CCR2, CCR1, ACKR3 MMP2 2005/4885TSHR 1129/4885CCR1 2/4885
US-20210380672-A1 Treatment and Prevention of Cardiovascular Disease SERPINA6, FABP3, CXCL8 MMP2 637/4885TSHR 2503/4885CCR1 151/4885
US-11359011-B2 Treatment and prevention of cardiovascular disease SERPINA6, FABP3, CXCL8 MMP2 637/4885TSHR 2503/4885CCR1 151/4885
US-20030055054-A1 CXCR3 antagonists CXCR3, CXCR1, CCR5 MMP2 1370/4885TSHR 975/4885CCR1 9/4885
US-20230042936-A1 PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES AS CDK INHIBITORS CDK7, CDK8, CDK9 MMP2 3461/4885TSHR 3372/4885CCR1 3062/4885

“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.