SCHEMBL2402980

SCHEMBL2402980

O=C(O)[C@H]1CC[C@@H](Nc2nccs2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.51
▸ NPC1 O15118 2/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ EPHX2 P34913 1/20 0.44
▸ PDE7A Q13946 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ SCD O00767 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ GSK3B P49841 1/20 0.41

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
SCHEMBL2402987 1.00 KDM4E (0.51) KDM4ENPC1MEN1KMT2ATSHR
SCHEMBL2401148 0.86 NPC1 (0.48) KDM4ENPC1MEN1KMT2ATSHR
SCHEMBL2401153 0.86 NPC1 (0.48) KDM4ENPC1MEN1KMT2ATSHR
SCHEMBL28198370 0.85 — —
SCHEMBL3449454 0.79 MEN1 (0.46) KDM4ENPC1MEN1KMT2ATSHR
SCHEMBL12574025 0.78 MEN1 (0.57) KDM4ENPC1MEN1KMT2ATSHR
SCHEMBL28171744 0.77 MEN1 (0.47) KDM4ENPC1MEN1KMT2ATSHR
SCHEMBL14654943 0.77 MAPT (0.45) KDM4ENPC1MEN1KMT2ATSHR
SCHEMBL5112007 0.76 TSHR (0.59) KDM4ENPC1MEN1KMT2ATSHR
SCHEMBL29587148 0.76 MEN1 (0.44) KDM4ENPC1MEN1KMT2ATSHR

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
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 — — US disclosed
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 — — US disclosed
CN-102834380-B Inhibitors of protein kinases ASTRAZENECA 2015-04-01 — — CN disclosed
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-26 — — US disclosed
US-8518948-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-27 — — US disclosed
CN-102834380-A Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH 2012-12-19 — — CN disclosed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 — — US 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 (3 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-20130345233-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 KDM4E 2183/4885NPC1 4514/4885MEN1 4124/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 KDM4E 2183/4885NPC1 4514/4885MEN1 4124/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 KDM4E 2183/4885NPC1 4514/4885MEN1 4124/4885

“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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