SCHEMBL211823

SCHEMBL211823

OCc1cc(-c2cc[c]cc2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
PRKCI P41743 1/20 0.37
RECQL P46063 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
BUB1 O43683 1/20 0.31
MYC P01106 1/20 0.31
PLAU P00749 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
CDC7 O00311 1/20 0.30
DBF4 Q9UBU7 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
SCHEMBL30504670 0.82 PRKCI (0.53) CSNK1DCSNK1ES1PR1S1PR3PRKCI
SCHEMBL19996096 0.82 PRKCI (0.53) CSNK1DCSNK1ES1PR1S1PR3PRKCI
SCHEMBL23235048 0.81 AAK1 (0.34) CSNK1DCSNK1E
SCHEMBL210009 0.81 PIK3CA (0.33) TLR9TLR8TLR7MYCPLAU
SCHEMBL1897204 0.81 SREBF2 (0.43) PRKCICDC7DBF4
SCHEMBL29935002 0.81 PLAU (0.47) CSNK1DCSNK1ES1PR1S1PR3PRKCI
SCHEMBL3711754 0.81 PLAU (0.47) CSNK1DCSNK1ES1PR1S1PR3PRKCI
SCHEMBL14291396 0.78 SREBF2 (0.47) CSNK1DCSNK1ES1PR1S1PR3PRKCI
SCHEMBL13239038 0.78 CSNK1D (0.59) CSNK1DCSNK1ES1PR1S1PR3PRKCI
SCHEMBL15125681 0.74 KIF11 (0.52) CSNK1DCSNK1ES1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA REATA PHARMACEUTICALS, INC. (US) 2021-09-23 US claimed
EP-3807265-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA Reata Pharmaceuticals, Inc. (US) 2021-04-21 EP claimed
CN-112654610-A Pyrazole and imidazole compounds for inhibiting IL-17 and ROR gamma 里亚塔医药公司 2021-04-13 CN claimed
US-11993574-B2 Pyrazole and imidazole compounds for inhibition of IL-17 and RORgamma REATA PHARMACEUTICALS, INC (US) 2024-05-28 US disclosed
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA REATA PHARMACEUTICALS, INC. (US) 2021-09-23 US disclosed
US-20210147380-A1 CYSTEINE-DEPENDENT INVERSE AGONISTS OF NUCLEAR RECEPTORS ROR-GAMMA/ROR-GAMMA-T AND METHODS OF TREATING DISEASES OR DISORDERS THEREWITH REATA PHARMACEUTICALS, INC. (US) 2021-05-20 US disclosed
EP-3810141-A1 CYSTEINE-DEPENDENT INVERSE AGONISTS OF NUCLEAR RECEPTORS ROR-GAMMA/ROR-GAMMA-T AND METHODS OF TREATING DISEASES OR DISORDERS THEREWITH Reata Pharmaceuticals, Inc. (US) 2021-04-28 EP disclosed
CN-112654610-A Pyrazole and imidazole compounds for inhibiting IL-17 and ROR gamma 里亚塔医药公司 2021-04-13 CN disclosed
EP-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 EP disclosed
CN-103214414-B The diamine derivative of opticity and manufacture method thereof SANKYO CO. (JP) 2016-02-17 CN disclosed
CN-103214414-A Optically active diamine derivative and process for producing the same DAIICHI SANKYO CO LTD 2013-07-24 CN disclosed
EP-1925611-A1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-05-28 EP disclosed
CN-101163700-A Triamine derivative DAIICHI SEIYAKU CO (JP) 2008-04-16 CN disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
CN-1751025-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-03-22 CN disclosed
CN-1745071-A Novel ethylenediamine derivative DAIICHI SEIYAKU CO (JP) 2006-03-08 CN disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S CSNK1D 2006/4885CSNK1E 2812/4885S1PR1 1150/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 CSNK1D 3802/4885CSNK1E 4192/4885S1PR1 2130/4885
US-20210147380-A1 CYSTEINE-DEPENDENT INVERSE AGONISTS OF NUCLEAR RECEPTORS ROR-GAMMA/ROR-GAMMA-T AND METHODS OF TREATING DISEASES OR DISORDERS THEREWITH RORC, RORA, RORB CSNK1D 188/4885CSNK1E 122/4885S1PR1 1223/4885
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA RORC, RORB, RORA CSNK1D 251/4885CSNK1E 356/4885S1PR1 2172/4885
US-11993574-B2 Pyrazole and imidazole compounds for inhibition of IL-17 and RORgamma RORC, RORB, RORA CSNK1D 251/4885CSNK1E 356/4885S1PR1 2172/4885

“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.