SCHEMBL3498573

SCHEMBL3498573

CN(C)CCCn1c(N)nc2cc(CN3CCOCC3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.47
CREBBP Q92793 4/20 0.47
ITK Q08881 1/20 0.45
TRPC5 Q9UL62 1/20 0.43
TLR8 Q9NR97 1/20 0.42
NTRK1 P04629 1/20 0.41
CSF1R P07333 1/20 0.41
NTRK2 Q16620 1/20 0.41
BACE1 P56817 2/20 0.40
NUDT1 P36639 1/20 0.40
PRMT6 Q96LA8 1/20 0.39
RPS6KA5 O75582 1/20 0.39
ILK Q13418 1/20 0.39
NCF1 P14598 1/20 0.38

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
SCHEMBL5471833 0.79 SOS1 (0.55) TRPC5NTRK1CSF1RNTRK2BACE1
SCHEMBL5470925 0.79 TRPC5 (0.56) BRD4TRPC5NTRK1CSF1RNTRK2
SCHEMBL3498952 0.76 TERT (0.47) ITKTLR8BACE1NUDT1
SCHEMBL3498559 0.76 NPC1 (0.45) BRD4CREBBP
SCHEMBL12598789 0.74 BACE1 (0.69) TLR8BACE1NUDT1
SCHEMBL15337717 0.72 LMNA (0.47) BRD4CREBBPTLR8BACE1NUDT1
SCHEMBL3498905 0.71 CNR2 (0.52) TLR8BACE1NUDT1
SCHEMBL1982004 0.71 CXCR4 (0.73) TLR8
SCHEMBL3499154 0.71 TLR8 (0.50) TLR8BACE1NUDT1RPS6KA5
SCHEMBL11712420 0.69 CXCR4 (0.66) TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 US disclosed
US-20050165007-A1 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2005-07-28 US disclosed
US-20050124638-A1 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. 2005-06-09 US disclosed
WO-2004050035-A2 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2004-06-17 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 (3 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-20050165007-A1 Benzimidazoles and analogs thereof as antivirals ZC3HAV1, NXF1, ZC3HAV1L BRD4 422/4885CREBBP 2475/4885ITK 4632/4885
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L BRD4 422/4885CREBBP 2475/4885ITK 4632/4885
US-20050124638-A1 Benzimidazoles and analogs thereof as antivirals ZC3HAV1, NXF1, ZC3HAV1L BRD4 422/4885CREBBP 2475/4885ITK 4632/4885

“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.