SCHEMBL1345138

SCHEMBL1345138

CC1CC(=O)Nc2ccc(N)cc2C1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.61
CREBBP Q92793 13/20 0.61
CRBN Q96SW2 1/20 0.47
CA9 Q16790 1/20 0.46
GRIA1 P42261 1/20 0.40
CACNG8 Q8WXS5 1/20 0.40
CYP19A1 P11511 1/20 0.39
EP300 Q09472 1/20 0.39
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
AHR P35869 1/20 0.37

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
SCHEMBL1347920 0.81 CREBBP (0.61) BRD4CREBBPCRBNEP300
SCHEMBL14721601 0.79 CA9 (0.40) BRD4CREBBPCRBNCA9CYP19A1
SCHEMBL1347231 0.76 CREBBP (1.00) BRD4CREBBPCRBNEP300AHR
SCHEMBL1347469 0.76 BRD4 (0.55) BRD4CREBBP
SCHEMBL22660 0.75 AHR (0.61) CA9GRIA1CACNG8PDE3BPDE3A
SCHEMBL17479629 0.75 CA9 (0.44) BRD4CREBBPCA9CYP19A1EP300
Hydrochloric Acid SCHEMBL15206761 0.74 AHR (0.59) CA9GRIA1CACNG8PDE3BPDE3A
Bromide SCHEMBL9824774 0.74 AHR (0.59) CA9GRIA1CACNG8PDE3BPDE3A
SCHEMBL736368 0.74 CA9 (0.73) BRD4CRBNCA9PDE3BPDE3A
SCHEMBL18496459 0.73 ALDH1A1 (0.42)

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 2601/4885CREBBP 2735/4885CRBN 420/4885

“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.