SCHEMBL173166

SCHEMBL173166

C=C(C)C#Cc1cc(NC2CCC(n3cncn3)CC2)c(C(=O)OC)s1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
POLB P06746 1/20 0.30

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
SCHEMBL102009 0.86 PRKCQ (0.37) PRKCQPRKCD
SCHEMBL12446818 0.84 PRKCQ (0.37) PRKCQPRKCDPOLB
SCHEMBL173104 0.84 IRAK4 (0.34)
SCHEMBL173106 0.79 RAF1 (0.45)
SCHEMBL5076173 0.77 PRKCQ (0.36) PRKCQPRKCD
SCHEMBL2106245 0.76 PRKCQ (0.33) PRKCQPRKCD
SCHEMBL2105670 0.73 PRKCQ (0.34) PRKCQPRKCD
SCHEMBL101590 0.71 IRAK4 (0.38)
SCHEMBL669880 0.70 RAF1 (0.36)
SCHEMBL1960225 0.67 RAF1 (0.34) PRKCQPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8269014-B2 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-09-18 US disclosed
US-20120059170-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals ( Canada) Incorporated (CA) 2012-03-08 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-20120059170-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS TTR, ZC3HAV1, IRF3 PRKCQ 4722/4885PRKCD 4774/4885POLB 3559/4885

“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.