SCHEMBL3046089

SCHEMBL3046089

CN1CCN(C(=O)c2ccc3c(c2)cc(-c2ccc(Cl)c4c2C(=O)NC4)n3C(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.40
CDK2 P24941 4/20 0.40
TTK P33981 4/20 0.40
AURKA O14965 3/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.36
HPGD P15428 2/20 0.36
CNR2 P34972 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CRBN Q96SW2 1/20 0.34
NR1H2 P55055 1/20 0.34
ATR Q13535 1/20 0.34
ATRIP Q8WXE1 1/20 0.34

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
SCHEMBL3041591 0.95 MEN1 (0.43) CCNA2CDK2TTKAURKAALDH1A1
SCHEMBL3033984 0.89 MEN1 (0.43) CCNA2CDK2TTKAURKAALDH1A1
SCHEMBL3044227 0.88 BRD4 (0.39) BRD4CREBBPNR1H2ATRATRIP
SCHEMBL3039265 0.85 MEN1 (0.41) CCNA2CDK2TTKAURKAMEN1
SCHEMBL3050148 0.85 CFTR (0.39) CCNA2CDK2TTKALDH1A1MEN1
SCHEMBL3034098 0.84 CRBN (0.41) CCNA2CDK2MEN1KMT2ACNR2
SCHEMBL5050595 0.84 GBA1 (0.40) CCNA2CDK2TTKMEN1KMT2A
SCHEMBL3151651 0.83 MEN1 (0.36) CCNA2CDK2TTKAURKAMEN1
SCHEMBL3034386 0.82 BRD4 (0.51) BRD4CREBBPNR1H2
SCHEMBL3047734 0.82 VEGFA (0.40) NR1H2

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 CCNA2 1504/4885CDK2 1751/4885TTK 3837/4885

“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.