SCHEMBL2541401

SCHEMBL2541401

CCCN(Cc1ccc2nc(N)n(Cc3nc(C)ccc3O)c2c1)c1cccc(C)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 2/20 0.38
▸ SOS1 Q07889 2/20 0.35
▸ S1PR1 P21453 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ CXCL8 P10145 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33
▸ MDM2 Q00987 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ASAH1 Q13510 1/20 0.32
▸ F2R P25116 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL2541966 0.93 SOS1 (0.35) TLR8SOS1KMT2ATNFCXCL8
Hydrochloric Acid SCHEMBL2539558 0.92 SOS1 (0.36) TLR8SOS1KMT2ATNFCXCL8
SCHEMBL2540106 0.90 ASAH1 (0.35) SOS1MAPTCDK1CDK4CDK2
SCHEMBL2533397 0.89 F2 (0.33) TLR8SOS1KMT2AMAPTKDM4E
SCHEMBL2537988 0.82 SOS1 (0.33) SOS1KMT2ATNFCXCL8NOD2
SCHEMBL2537125 0.82 CDK1 (0.33) SOS1KMT2ATNFCXCL8NOD2
SCHEMBL2541947 0.81 MEN1 (0.32) KMT2AMAPTKDM4EGAATSHR
SCHEMBL2537168 0.78 MAPT (0.46) TLR8SOS1KMT2ATNFCXCL8
SCHEMBL8284695 0.78 KDM4E (0.46) TLR8SOS1KMT2ATNFCXCL8
SCHEMBL8241914 0.77 SOS1 (0.43) TLR8SOS1KMT2ATNFCXCL8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044073-B2 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2011-10-25 — — US disclosed
EP-1697343-B1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARM LTD (IE) 2009-07-01 — — EP disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 — — US 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-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-2, H1-4 TLR8 4054/4885SOS1 2168/4885S1PR1 4553/4885

“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.

Send feedback