SCHEMBL3051063

SCHEMBL3051063

CC(C)(C)OC(=O)n1c(-c2cc(F)c(Cl)c3c2C(=O)NC3)cc2cc(C=O)ccc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
NR1H2 P55055 12/20 0.36
NR1H3 Q13133 2/20 0.34
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
ATR Q13535 2/20 0.33
ATRIP Q8WXE1 2/20 0.33
TRPV3 Q8NET8 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
KDR P35968 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
SCHEMBL3050289 0.92 BRD4 (0.38) BRD4CREBBPNR1H2NR1H3PIM1
SCHEMBL3043890 0.87 BRD4 (0.38) BRD4CREBBPNR1H2NR1H3PIM1
SCHEMBL3835674 0.87 NR1H2 (0.34) BRD4CREBBPNR1H2PIM1PIM2
SCHEMBL3044207 0.85 NR1H2 (0.38) BRD4CREBBPNR1H2NR1H3PIM1
SCHEMBL3046227 0.85 NR1H2 (0.38) BRD4CREBBPNR1H2NR1H3ATR
SCHEMBL3041655 0.84 NR1H2 (0.38) BRD4CREBBPNR1H2NR1H3PIM1
SCHEMBL3048395 0.83 NR1H2 (0.37) BRD4CREBBPNR1H2NR1H3PIM1
SCHEMBL3051443 0.83 TBK1 (0.36) BRD4CREBBPNR1H2NR1H3PIM1
SCHEMBL27720809 0.82 BRD4 (0.38) BRD4CREBBPNR1H2NR1H3TRPV3
SCHEMBL3040861 0.82 ATR (0.34) BRD4CREBBPNR1H2PIM1PIM2

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-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-1804788-A4 DETECTION AND ANALYSIS OF OPHTHALMICALLY-RELEVANT FLUORESCENT MOLECULES SIRION THERAPEUTICS INC (US) 2008-05-21 EP disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP disclosed
EP-1804788-A2 DETECTION AND ANALYSIS OF OPHTHALMICALLY-RELEVANT FLUORESCENT MOLECULES Sirion Therapeutics, Inc. (US) 2007-07-11 EP disclosed
US-20060099714-A1 Detection and analysis of ophthalmically-relevant fluorescent molecules SYTERA, INC. (US) 2006-05-11 US disclosed
WO-2006047475-A2 DETECTION AND ANALYSIS OF OPHTHALMICALLY-RELEVANT FLUORESCENT MOLECULES SYTERA, INC. (US) 2006-05-04 WO 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 BRD4 47/4885CREBBP 904/4885NR1H2 21/4885

“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.