SCHEMBL14007397

SCHEMBL14007397

CNc1cncc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RAF1 P04049 2/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
APP P05067 1/20 0.36
KCNH2 Q12809 2/20 0.35
SCN10A Q9Y5Y9 2/20 0.35
XDH P47989 1/20 0.35
MAPT P10636 1/20 0.34
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 3/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33

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
Tert-Butyl Formate SCHEMBL27816854 0.82 TDP1 (0.36) ALDH1A1KDM4ERAF1KCNH2SCN10A
SCHEMBL21605071 0.79 KDM4E (0.47) ALDH1A1KDM4ERAF1CYP11B1CYP11B2
SCHEMBL8750751 0.79 CHEK1 (0.42) RAF1CYP11B1CYP11B2KCNH2SCN10A
SCHEMBL8750888 0.79 XDH (0.41) RAF1CYP11B1CYP11B2KCNH2SCN10A
SCHEMBL8244430 0.79 SCN10A (0.37) RAF1CYP11B1CYP11B2KCNH2SCN10A
SCHEMBL21044256 0.78 CYP11B2 (0.53) CYP11B1CYP11B2APPKCNH2SCN10A
Hydrochloric Acid SCHEMBL21598403 0.78 KDM4E (0.45) ALDH1A1KDM4ERAF1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL30147906 0.78 KDM4E (0.45) ALDH1A1KDM4ERAF1CYP11B1CYP11B2
SCHEMBL936524 0.77 CYP11B1 (0.47) ALDH1A1KDM4ERAF1CYP11B1CYP11B2
SCHEMBL8049000 0.77 KDM4E (0.58) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400497-A1 3CLPRO PROTEASE INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-07-17 EP disclosed
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2023-04-13 US disclosed
WO-2023036140-A1 3CLPRO PROTEASE INHIBITOR 上海齐鲁制药研究中心有限公司 2023-03-16 WO disclosed
WO-2023023527-A1 PHOSPHOLIPID COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-02-23 WO disclosed
EP-4104861-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2022-12-21 EP disclosed
WO-2021231615-A1 SUBSTITUTED PYRIDAZINONE FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES EDGEWISE THERAPEUTICS, INC. (US) 2021-11-18 WO disclosed
WO-2021141041-A1 THERAPEUTIC AGENT FOR TAUOPATHIES 大日本住友製薬株式会社 2021-07-15 WO disclosed
EP-3828174-A1 PYRIDAZINONE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2021-06-02 EP disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
WO-2020017587-A1 PYRIDAZINONE DERIVATIVE 大日本住友製薬株式会社 2020-01-23 WO disclosed
WO-2018013776-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
US-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) GLAXO GROUP LIMITED (GB) 2008-11-13 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 (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-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) PDE4A, PDE4B, PDE3B ALDH1A1 360/4885KDM4E 1376/4885RAF1 4312/4885
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES MAPT, PSEN1, PSEN2 ALDH1A1 4081/4885KDM4E 3621/4885RAF1 2720/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B ALDH1A1 1898/4885KDM4E 2371/4885RAF1 3250/4885

“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.