SCHEMBL3048102

SCHEMBL3048102

CC(C)(C)OC(=O)n1c(-c2ccc(Oc3ccccc3)c3c2C(=O)NC3)cc2cc(C(=O)N3CCNCC3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
NR1H2 P55055 12/20 0.34
KDR P35968 1/20 0.34
NR1H3 Q13133 2/20 0.33
MAPK14 Q16539 1/20 0.33
CNR2 P34972 1/20 0.33
SLC6A4 P31645 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL3050148 0.84 CFTR (0.39) BRD4CREBBPNR1H2CNR2
SCHEMBL3034098 0.83 CRBN (0.41) BRD4CREBBPNR1H2NR1H3CNR2
SCHEMBL3151651 0.82 MEN1 (0.36) BRD4CREBBPNR1H2CNR2
SCHEMBL3047181 0.81 NR1H2 (0.37) BRD4CREBBPNR1H2NR1H3HRH3
SCHEMBL3041591 0.80 MEN1 (0.43) BRD4CREBBPNR1H2CNR2
SCHEMBL3039265 0.80 MEN1 (0.41) BRD4CREBBPNR1H2CNR2
SCHEMBL3161299 0.80 PKM (0.35) BRD4CREBBPNR1H2NR1H3
SCHEMBL3046089 0.79 CCNA2 (0.40) BRD4CREBBPNR1H2KDRCNR2
SCHEMBL5050595 0.79 GBA1 (0.40) BRD4CREBBPNR1H2NR1H3CNR2
SCHEMBL3044424 0.78 CACNA1B (0.39) ADORA2AADORA1BRD4CREBBPCNR2

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 4 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
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP 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 ADORA2A 1278/4885ADORA1 1002/4885BRD4 47/4885

“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.