SCHEMBL55508

SCHEMBL55508

[CH2]CCCCCN1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.61
SIGMAR1 Q99720 2/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
GNAO1 P09471 5/20 0.42
GNAI3 P08754 4/20 0.42
GNAI1 P63096 4/20 0.42
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HSD17B10 Q99714 1/20 0.38
KDM1A O60341 1/20 0.38
SOD3 P08294 2/20 0.36
RAD52 P43351 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL1282474 0.98 CXCR4 (0.57) CXCR4SIGMAR1POLBSMN1; SMN2HRH3
SCHEMBL293768 0.91 CXCR4 (0.56) CXCR4SIGMAR1POLBSMN1; SMN2HRH3
SCHEMBL21569302 0.88 CXCR4 (0.74) CXCR4SIGMAR1POLBSMN1; SMN2HRH3
SCHEMBL11721752 0.88 CXCR4 (0.74) CXCR4SIGMAR1POLBSMN1; SMN2HRH3
SCHEMBL11726023 0.88 CXCR4 (0.74) CXCR4SIGMAR1POLBSMN1; SMN2HRH3
SCHEMBL9113170 0.87 CXCR4 (0.47) CXCR4SIGMAR1POLBSMN1; SMN2HRH3
SCHEMBL6657549 0.85 CXCR4 (0.78) CXCR4SIGMAR1POLBSMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL5570696 0.85 CXCR4 (0.71) CXCR4SIGMAR1POLBSMN1; SMN2HRH3
SCHEMBL8614873 0.85 CXCR4 (0.70) CXCR4SIGMAR1POLBSMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL5570648 0.83 CXCR4 (0.67) CXCR4SIGMAR1POLBSMN1; SMN2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US claimed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP claimed
EP-4327886-A2 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF Libertas Bio, Inc. (US) 2024-02-28 EP disclosed
EP-3392252-B1 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF LIBERTAS BIO INC (US) 2023-10-04 EP disclosed
CN-108707151-B Pyrimido-pyridazinone compounds and uses thereof 阿萨纳生物科技有限责任公司 2022-06-03 CN disclosed
US-20200190095-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF ABS DEVELOPMENT 1, INC. 2020-06-18 US disclosed
US-10647720-B2 Pyrimido-pyridazinone compounds and methods of use thereof Asan BioSciences, LLC (US) 2020-05-12 US disclosed
US-10294212-B2 Inhibitors of the kynurenine pathway CURADEV PHARMA, PVT. LTD. (IN) 2019-05-21 US disclosed
US-20190092779-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF Libertas Bio, Inc. 2019-03-28 US disclosed
EP-3216793-B1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS WYETH LLC (US) 2019-03-27 EP disclosed
US-20190070182-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER ASANA BIOSCIENCES, LLC 2019-03-07 US disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
CN-1091288-A The oxytocin antagonist OTSUKA PHARMA CO LTD (JP) 1994-08-31 CN disclosed
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed
CN-1046529-A Carbostyril derivative OTSUKA PHARMA CO LTD (JP) 1990-10-31 CN disclosed
EP-0293088-A1 Coating compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-11-30 EP 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 (5 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-10294212-B2 Inhibitors of the kynurenine pathway IDO1, IDO2, KYNU CXCR4 3995/4885SIGMAR1 2168/4885POLB 2557/4885
US-20190070182-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER MKI67, DPYD, TYMP CXCR4 2423/4885SIGMAR1 3904/4885POLB 820/4885
US-20190092779-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS CXCR4 274/4885SIGMAR1 2028/4885POLB 595/4885
US-20200190095-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS CXCR4 274/4885SIGMAR1 2028/4885POLB 595/4885
US-10647720-B2 Pyrimido-pyridazinone compounds and methods of use thereof THPO, TYMP, TYMS CXCR4 274/4885SIGMAR1 2028/4885POLB 595/4885

“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.