SCHEMBL17196811

SCHEMBL17196811

CC(C)(C)OC(=O)N1CC(Nc2nc(Cl)ncc2Cl)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.48
▸ STK17A Q9UEE5 1/20 0.48
▸ ALK Q9UM73 3/20 0.44
▸ CCNK O75909 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CCND3 P30281 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ CDK6 Q00534 1/20 0.43
▸ JAK2 O60674 3/20 0.42
▸ JAK1 P23458 3/20 0.42
▸ AURKA O14965 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ EHMT2 Q96KQ7 1/20 0.42
▸ USP30 Q70CQ3 3/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL17107621 0.91 JAK1 (0.52) STK17BSTK17AJAK2JAK1AURKA
SCHEMBL18563163 0.89 USP30 (0.45) STK17BSTK17AALKCNR1CNR2
SCHEMBL16513312 0.89 USP30 (0.45) STK17BSTK17AALKCNR1CNR2
SCHEMBL17196934 0.88 CNR1 (0.53) STK17BSTK17AALKCCNKCCNA2
SCHEMBL10303476 0.88 KMT2A (0.50) STK17BSTK17AALKEHMT2USP30
SCHEMBL17107748 0.87 JAK1 (0.47) STK17BSTK17AALKJAK2JAK1
SCHEMBL15974579 0.85 PIN1 (0.41) STK17BSTK17AEHMT2USP30PIK3CD
SCHEMBL17107655 0.83 JAK1 (0.52) STK17BSTK17AALKJAK2JAK1
SCHEMBL15057297 0.83 STK17B (0.54) STK17BSTK17AALKCCNKCCNA2
SCHEMBL17196753 0.82 JAK1 (0.53) ALKJAK2JAK1AURKAFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3144292-B1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (US) 2020-08-26 — — EP disclosed
US-9879008-B2 2,3,4,6-tetra-substituted benzene-1,5-diamine derivatives, preparation method therefor and medicinal use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2018-01-30 — — US disclosed
US-9879008-B2 2,3,4,6-tetra-substituted benzene-1,5-diamine derivatives, preparation method therefor and medicinal use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2018-01-30 — — US disclosed
EP-3144292-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD (US) 2017-03-22 — — EP disclosed
US-20170057957-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-03-02 — — US disclosed
US-20170057957-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-03-02 — — US disclosed
WO-2015158233-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF 上海海雁医药科技有限公司 2015-10-22 — — 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-20170057957-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF CYP4F11, CYP2D6, CYP4B1 STK17B 2493/4885STK17A 2707/4885ALK 1735/4885

“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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