SCHEMBL10025495

SCHEMBL10025495

Nc1nc2ccccc2n1CCCN1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.71
▸ TLR8 Q9NR97 3/20 0.64
▸ POLB P06746 1/20 0.59
▸ HTT P42858 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ NPY1R P25929 1/20 0.54
▸ OPRK1 P41145 1/20 0.52
▸ DRD2 P14416 2/20 0.48
▸ DRD3 P35462 2/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ CXCL8 P10145 2/20 0.48
▸ NOD1 Q9Y239 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ TNF P01375 1/20 0.48
▸ SOS1 Q07889 1/20 0.48

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
SCHEMBL11718288 0.99 CXCR4 (0.69) CXCR4TLR8POLBHTTCYP1A2
SCHEMBL3400537 0.91 CXCR4 (0.66) CXCR4TLR8POLBHTTCYP1A2
SCHEMBL3761561 0.90 CXCR4 (0.64) CXCR4TLR8POLBHTTCYP1A2
SCHEMBL11712751 0.89 CXCR4 (0.68) CXCR4TLR8POLBHTTCYP1A2
SCHEMBL7164854 0.87 CXCR4 (0.93) CXCR4TLR8POLBHTTCYP1A2
SCHEMBL11712420 0.87 CXCR4 (0.66) CXCR4TLR8POLBHTTCYP1A2
SCHEMBL11716008 0.85 CXCR4 (0.62) CXCR4TLR8POLBCYP1A2CYP2D6
SCHEMBL6196399 0.84 CXCR4 (1.00) CXCR4TLR8POLBHTTCYP1A2
SCHEMBL6197634 0.82 CXCR4 (0.96) CXCR4TLR8POLBHTTCYP1A2
SCHEMBL14447553 0.82 CXCR4 (0.96) CXCR4TLR8POLBHTTCYP1A2

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-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-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-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 — — 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-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L CXCR4 262/4885TLR8 4042/4885POLB 865/4885

“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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