SCHEMBL15712435

SCHEMBL15712435

CC(C)(C)OC(=O)c1cc(Cl)ncc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ MAPKAPK2 P49137 2/20 0.36
▸ GABRA1 P14867 5/20 0.35
▸ GABRG2 P18507 5/20 0.35
▸ GABRB3 P28472 5/20 0.35
▸ GABRA5 P31644 5/20 0.35
▸ GABRA3 P34903 4/20 0.35
▸ GABRA2 P47869 4/20 0.35
▸ GABRA4 P48169 3/20 0.35
▸ GABRA6 Q16445 3/20 0.35
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ GABRE P78334 1/20 0.35
▸ GABRG1 Q8N1C3 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
SCHEMBL27039493 0.88 ATR (0.38) ATRCA12CA1CA2CA9
SCHEMBL20850921 0.83 ATR (0.39) ATRCA12CA1CA2CA9
SCHEMBL30763395 0.82 KDM4E (0.51) ALOX15ABL1KDM4EALDH1A1GLA
SCHEMBL3714762 0.82 KDM4E (0.51) ALOX15ABL1KDM4EALDH1A1GLA
SCHEMBL24342423 0.81 ATR (0.38) ATRCA12CA1CA2CA9
SCHEMBL15712602 0.81 ATR (0.38) ATRCA12CA1CA2CA9
SCHEMBL2438709 0.81 ATR (0.38) ATRCA12CA1CA2CA9
SCHEMBL30726361 0.81 ATR (0.43) ATRCA12CA1CA2CA9
SCHEMBL18298896 0.81 ATR (0.43) ATRCA12CA1CA2CA9
SCHEMBL2435446 0.80 ATR (0.49) ATRCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 — — EP disclosed
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 — — EP disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 — — US disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 — — US disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 — — US disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 — — US disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 — — US disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 — — US disclosed
EP-2915804-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2015-09-09 — — EP disclosed
EP-2915804-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2015-09-09 — — EP disclosed
WO-2014069510-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF 富山化学工業株式会社 (JP) 2014-05-08 — — 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 (1 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-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF HRH4, CLIC4, KRT18 ATR 4151/4885CA12 1936/4885CA1 1852/4885

“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.

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