SCHEMBL316358

SCHEMBL316358

CC1CNc2cc(Cl)ccc2-n2c(-c3ccc(Cl)cc3)nnc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.41
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40
CREBBP Q92793 1/20 0.40
HSD11B1 P28845 1/20 0.39
AKT1 P31749 1/20 0.37
AVPR1A P37288 1/20 0.36
CNR2 P34972 1/20 0.35
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
GLA P06280 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
SCHEMBL316360 1.00 BRD4 (0.41) BRD4BRD2BRD3BRDTCREBBP
SCHEMBL316359 1.00 BRD4 (0.41) BRD4BRD2BRD3BRDTCREBBP
SCHEMBL1812813 0.95 BRD4 (0.37) BRD4BRD2BRD3BRDTCREBBP
SCHEMBL1812814 0.95 BRD4 (0.37) BRD4BRD2BRD3BRDTCREBBP
SCHEMBL1812815 0.95 BRD4 (0.37) BRD4BRD2BRD3BRDTCREBBP
SCHEMBL314677 0.93 HSD11B1 (0.41) BRD4BRD2BRD3BRDTCREBBP
SCHEMBL314678 0.93 HSD11B1 (0.41) BRD4BRD2BRD3BRDTCREBBP
SCHEMBL314679 0.93 HSD11B1 (0.41) BRD4BRD2BRD3BRDTCREBBP
SCHEMBL316133 0.91 GLA (0.45) BRD4BRD2KMT2AGLA
SCHEMBL314477 0.91 BRD4 (0.35) BRD4BRD2BRD3BRDTCREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP claimed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US claimed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP disclosed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
WO-2007079820-A1 TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2007-07-19 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-20080306042-A1 Triazole Derivatives TGFBR1, TGFBR2, SMAD3 BRD4 808/4885BRD2 950/4885BRD3 378/4885

“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.