SCHEMBL8284623

SCHEMBL8284623

Cc1nc(C)c(Cn2c(N)nc3cc(C=O)ccc32)nc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TLR8 Q9NR97 2/20 0.40
▸ SOS1 Q07889 2/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ BACE1 P56817 2/20 0.34
▸ NUDT1 P36639 1/20 0.34
▸ TNF P01375 2/20 0.34
▸ NOD2 Q9HC29 2/20 0.34
▸ NOD1 Q9Y239 2/20 0.34
▸ CXCL8 P10145 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PTGER4 P35408 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
SCHEMBL8284629 0.90 TLR8 (0.40) HTTPOLBALDH1A1TLR8SOS1
SCHEMBL8284699 0.81 ALDH1A1 (0.40) HTTPOLBALDH1A1TLR8SOS1
SCHEMBL8284702 0.79 ALDH1A1 (0.46) HTTPOLBALDH1A1PTGDR2
SCHEMBL8284617 0.79 RPS6KA5 (0.47) HTTPOLBALDH1A1TLR8SOS1
SCHEMBL8283861 0.76 CYP2A6 (0.35) POLBALDH1A1CYP2A6KDM4EKMT2A
SCHEMBL8285688 0.76 SOS1 (0.46) HTTPOLBALDH1A1SOS1TNF
SCHEMBL8284622 0.75 SIRT2 (0.50) HTTALDH1A1KDM4EKMT2A
SCHEMBL8284616 0.75 TLR8 (0.57) HTTPOLBALDH1A1TLR8SOS1
SCHEMBL6270643 0.74 BACE1 (0.39) HTTPOLBALDH1A1TLR8HDAC1
SCHEMBL8284631 0.74 HTT (0.40) HTTPOLBALDH1A1TLR8SOS1

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-8044073-B2 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2011-10-25 — — US disclosed
US-8044073-B2 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2011-10-25 — — US disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 — — US disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 — — US disclosed
WO-2005058869-A1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 — — 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-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 HTT 2862/4885POLB 185/4885ALDH1A1 1319/4885

“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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