SCHEMBL6216622

SCHEMBL6216622

CC(C)CCn1c(Cn2nc(Br)c3ccncc32)nc2cc(C#N)ccc21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.37
CNR2 P34972 5/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
S1PR1 P21453 2/20 0.35
PTGER4 P35408 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL6244965 0.77 ALOX5AP (0.42) ALOX5APCNR2TSHRMAPK1S1PR1
SCHEMBL6245304 0.77 ALOX5AP (0.46) ALOX5APCNR2TSHRMAPK1
SCHEMBL6243584 0.75 ALOX5AP (0.41) ALOX5APCNR2TSHRMAPK1S1PR1
SCHEMBL6247536 0.75 CNR2 (0.37) ALOX5APCNR2TSHRMAPK1S1PR1
SCHEMBL13077881 0.75 TSHR (0.61) ALOX5APCNR2TSHRMAPK1S1PR1
SCHEMBL7745873 0.75 TP53 (0.42) TSHRMAPK1
SCHEMBL7745456 0.74 TSHR (0.61) TSHRMAPK1
SCHEMBL6244070 0.74 CYP3A4 (0.55) ALOX5APCNR2S1PR1
SCHEMBL3732116 0.74 ALOX5AP (0.48) ALOX5APCNR2TSHRMAPK1S1PR1
SCHEMBL3731009 0.74 CNR2 (0.47) ALOX5APCNR2TSHRMAPK1HDAC1

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-6919331-B2 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-19 US disclosed
EP-1461035-A4 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2005-04-06 EP disclosed
EP-1461035-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS Bristol-Myers Squibb Company (US) 2004-09-29 EP disclosed
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-06 US disclosed
WO-2003053344-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 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-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents MAVS, ZC3HAV1, EIF2AK2 ALOX5AP 3555/4885CNR2 4156/4885TSHR 3860/4885

“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.