SCHEMBL2073936

SCHEMBL2073936

C1=C(c2ncc[nH]2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 2/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
CSF1R P07333 1/20 0.40
NISCH Q9Y2I1 2/20 0.38
MTOR P42345 1/20 0.38
ADK P55263 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMPD3 Q9NY59 1/20 0.34
PSMB5 P28074 2/20 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
SCHEMBL6844699 0.94 F2RL1 (0.49) F2RL1JAK2JAK1JAK3CCNE1
SCHEMBL27883560 0.84
SCHEMBL6840424 0.70 PIK3CD (0.37) NISCHMTORADKPDE4APDE4B
SCHEMBL296554 0.68 TYMP (0.42) JAK2JAK1JAK3CCNE1CDK2
SCHEMBL81650 0.68 NISCH (0.59) NISCHMTORADKPDE4APDE4B
SCHEMBL16321454 0.68 NISCH (0.34) F2RL1NISCHMTORADKPDE4A
SCHEMBL3033061 0.68 NISCH (0.37) NISCHMTORADKPDE4APDE4B
SCHEMBL1205638 0.68
Hydrochloric Acid SCHEMBL28486133 0.67 TYMP (0.38) JAK2JAK1JAK3CCNE1CDK2
Hydrochloric Acid SCHEMBL28179673 0.67 TYMP (0.38) JAK2JAK1JAK3CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP disclosed
CN-101115742-B Heterocycle derivatives as histone deacetylase (hdac) inhibitors ANGELETTI P IST RICHERCHE BIO 2011-06-22 CN disclosed
US-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 US disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
CN-101115742-A Heterocycle derivatives as histone deacetylase (hdac) inhibitors ANGELETTI P IST RICHERCHE BIO (IT) 2008-01-30 CN disclosed
EP-1828171-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-09-05 EP disclosed
WO-2006061638-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-06-15 WO disclosed
US-4747868-A Growth-regulating, fungicidal, and herbicidal cyclohexylimidazole and cyclohexenylimidazole derivatives, compositions, and methods of use therefor HOECHST AKTIENGESELLSCHAFT (DE) 1988-05-31 US disclosed
EP-0199206-A3 CYCLOHEXYL- AND CYCLOHEXENYLIMIDAZOLE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PLANT-PROTECTIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-08 EP disclosed
EP-0199206-A2 Cyclohexyl- and cyclohexenylimidazole compounds, process for their preparation and their use as plant-protective agents HOECHST AKTIENGESELLSCHAFT (DE) 1986-10-29 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 (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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 F2RL1 2886/4885JAK2 658/4885JAK1 1087/4885

“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.