SCHEMBL3041591

SCHEMBL3041591

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(c2)cc(-c2ccc(Cl)c4c2C(=O)NC4)n3C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CCNA2 P20248 5/20 0.39
CDK2 P24941 5/20 0.39
TTK P33981 4/20 0.39
CNR2 P34972 1/20 0.38
AURKA O14965 3/20 0.38
CRBN Q96SW2 1/20 0.37
POLB P06746 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
HDAC4 P56524 1/20 0.35
GPR119 Q8TDV5 3/20 0.35
ATR Q13535 2/20 0.35
ATRIP Q8WXE1 2/20 0.35
ALDH1A1 P00352 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
SCHEMBL3046089 0.95 CCNA2 (0.40) MEN1KMT2ACCNA2CDK2TTK
SCHEMBL3033984 0.93 MEN1 (0.43) MEN1KMT2ACCNA2CDK2TTK
SCHEMBL3039265 0.90 MEN1 (0.41) MEN1KMT2ACCNA2CDK2TTK
SCHEMBL3050148 0.89 CFTR (0.39) MEN1KMT2ACCNA2CDK2TTK
SCHEMBL3044227 0.89 BRD4 (0.39) BRD4CREBBPATRATRIPNR1H2
SCHEMBL3034098 0.89 CRBN (0.41) MEN1KMT2ACCNA2CDK2CNR2
SCHEMBL3151651 0.87 MEN1 (0.36) MEN1KMT2ACCNA2CDK2TTK
SCHEMBL5050595 0.87 GBA1 (0.40) MEN1KMT2ACCNA2CDK2TTK
SCHEMBL3047734 0.86 VEGFA (0.40) GPR119NR1H2
SCHEMBL3044424 0.86 CACNA1B (0.39) MEN1KMT2ACNR2CRBNPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 MEN1 1165/4885KMT2A 320/4885CCNA2 1504/4885

“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.