SCHEMBL1347544

SCHEMBL1347544

CC1CCc2cc(Br)ccc2NC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
RIPK1 Q13546 1/20 0.43
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
GABRA1 P14867 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
CMA1 P23946 1/20 0.39
AHR P35869 1/20 0.39
SRD5A1 P18405 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
POLB P06746 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL14550603 0.84 BRD4 (0.51) BRD4RIPK1LMNAPKMGABRA1
SCHEMBL7428693 0.84 BRD4 (0.51) BRD4RIPK1LMNAPKMGABRA1
SCHEMBL12023810 0.84 BRD4 (0.46) BRD4RIPK1LMNAPKMGABRA1
SCHEMBL3623361 0.83 BRD4 (0.46) BRD4RIPK1LMNAPKMGABRA1
SCHEMBL2283326 0.81 BRD4 (0.45) BRD4RIPK1LMNAPKMCMA1
SCHEMBL15957145 0.81 BRD4 (0.45) BRD4RIPK1LMNAPKMCMA1
SCHEMBL15964664 0.81 BRD4 (0.45) BRD4RIPK1LMNAPKMGABRA1
SCHEMBL19980056 0.81 RIPK1 (0.51) BRD4RIPK1LMNAPKMCMA1
SCHEMBL1346819 0.79 PDE3B (0.52) LMNAPKMPDE3BPDE3ASRD5A1
SCHEMBL22048708 0.77 NPC1 (0.52) BRD4RIPK1LMNAAHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063040-B2 Triazabenzo[E]azulene derivatives for the treatment of tumors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-22 US disclosed
EP-2111403-B1 TRIAZABENZO[E]AZULENE DERIVATIVES FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2010-11-10 EP disclosed
US-20100063028-A1 Triazabenzo[E]Azulene Derivatives for the Treatment Of Tumors MERCK PATENT GESELLSCHAFT (DE) 2010-03-11 US disclosed
EP-2111403-A1 TRIAZABENZO[E]AZULENE DERIVATIVES FOR THE TREATMENT OF TUMORS Merck Patent GmbH (DE) 2009-10-28 EP disclosed
WO-2008052628-A1 TRIAZABENZO[E]AZULENE DERIVATIVES FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2008-05-08 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-20100063028-A1 Triazabenzo[E]Azulene Derivatives for the Treatment Of Tumors TGFBR1, TGFBR2, ACVR1 BRD4 2601/4885RIPK1 868/4885LMNA 2526/4885

“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.