SCHEMBL12698726

SCHEMBL12698726

CC(Br)C(=O)Nc1cc(Br)ccc1-c1cc2cc(Br)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.46
▸ GPR35 Q9HC97 2/20 0.46
▸ CYP19A1 P11511 1/20 0.43
▸ SYK P43405 1/20 0.41
▸ FLT3 P36888 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ CHEK1 O14757 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PYGL P06737 1/20 0.35

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
SCHEMBL12698730 0.78 HSD17B10 (0.47) FFAR1GPR35CYP19A1SYKMEN1
SCHEMBL903388 0.72 CYP19A1 (0.57) FFAR1CYP19A1FLT3CHEK1MEN1
SCHEMBL17422783 0.69 CYP19A1 (0.71) FFAR1CYP19A1FLT3HRH4HRH3
SCHEMBL31607337 0.69 JAK3 (0.37) GPR35MAPK1
SCHEMBL12698675 0.68 CYP19A1 (0.56) FFAR1GPR35CYP19A1CHEK1
SCHEMBL903531 0.66 CYP19A1 (0.50) FFAR1CYP19A1CHEK1MEN1KMT2A
SCHEMBL1459848 0.65 CYP19A1 (0.61) FFAR1CYP19A1CHEK1MEN1POLB
SCHEMBL11474936 0.65 CYP19A1 (0.61) FFAR1CYP19A1MEN1POLBKMT2A
SCHEMBL18900664 0.65 FLT3 (0.57) FLT3HDAC6HRH4HRH3MEN1
SCHEMBL903497 0.63 CYP19A1 (0.50) FFAR1CYP19A1CHEK1MEN1KMT2A

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
EP-2621279-B1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-04 — — EP disclosed
US-9254292-B2 Fused tetracycle derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-02-09 — — US disclosed
US-20140170111-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES Merck Sharp & Dohmn Corp. (US) 2014-06-19 — — US disclosed
US-20140170111-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES Merck Sharp & Dohmn Corp. (US) 2014-06-19 — — US disclosed
WO-2012050848-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION (US) 2012-04-19 — — 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-20140170111-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, ZC3HAV1, ZC3HAV1L FFAR1 1955/4885GPR35 3496/4885CYP19A1 596/4885

“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.

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