SCHEMBL6216586

SCHEMBL6216586

C=Cc1nn(Cc2nc3cc(CNC(=O)OC(C)(C)C)ccc3n2CCCCOC(=O)C(C)(C)C)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.39
CYP1A2 P05177 2/20 0.39
MAPT P10636 1/20 0.38
GNRHR P30968 1/20 0.37
TP53 P04637 2/20 0.36
BRD4 O60885 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
STING1 Q86WV6 5/20 0.36
GRM2 Q14416 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL6247154 0.91 CYP2D6 (0.41) CYP2D6CYP1A2GNRHRBRD4L3MBTL1
SCHEMBL6492652 0.85 MEN1 (0.36) MAPTTP53BRD4L3MBTL1POLB
SCHEMBL6493464 0.82 GRM2 (0.42) CYP2D6CYP1A2MAPTGNRHRTP53
SCHEMBL2868995 0.82 STING1 (0.41) CYP2D6MAPTGNRHRTP53BRD4
SCHEMBL6222254 0.82 TP53 (0.38) MAPTGNRHRTP53L3MBTL1POLB
SCHEMBL6217706 0.80 GNRHR (0.39) MAPTGNRHRTP53POLBSMN1; SMN2
SCHEMBL6220287 0.80 CYP3A4 (0.41) CYP2D6CYP1A2MAPTGNRHRTP53
SCHEMBL6243670 0.79 CYP2D6 (0.42) CYP2D6CYP1A2GNRHRBRD4L3MBTL1
SCHEMBL6218645 0.77 CYP2D6 (0.34) CYP2D6CYP1A2BRD4HDAC10HDAC6
SCHEMBL6218691 0.74 GNRHR (0.39) GNRHRTP53POLBSMN1; SMN2STING1

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 CYP2D6 1218/4885CYP1A2 1430/4885MAPT 4825/4885

“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.