SCHEMBL3174607

SCHEMBL3174607

CCc1c(C)nc2sc(C(N)=O)c(C#N)c2c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
GAA P10253 3/20 0.49
NPC1 O15118 3/20 0.46
HTT P42858 3/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
HSP90AB1 P08238 1/20 0.41
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.40
ELANE P08246 1/20 0.39
BRAF P15056 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IKBKB O14920 5/20 0.38
CDK8 P49336 1/20 0.38
CDK19 Q9BWU1 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
SCHEMBL3166637 0.88 MAPT (0.44) MAPTGAANPC1HTTRAB9A
SCHEMBL3172504 0.86 MAPT (0.43) MAPTGAANPC1HTTRAB9A
SCHEMBL425233 0.81 HTT (0.65) MAPTNPC1HTTRAB9AKMT2A
SCHEMBL3174614 0.80 CDC7 (0.48) MAPTGAANPC1HTTRAB9A
SCHEMBL13393641 0.78 MAPT (0.40) MAPTGAANPC1HTTRAB9A
SCHEMBL13392948 0.77 POLB (0.43) MAPTGAANPC1HTTRAB9A
SCHEMBL13392958 0.75 HPGD (0.41) MAPTGAANPC1RAB9AKMT2A
SCHEMBL13392955 0.75 APOBEC3G (0.51) MAPTGAANPC1RAB9AKMT2A
SCHEMBL13393640 0.75 MAPT (0.38) MAPTGAANPC1HTTRAB9A
SCHEMBL1720715 0.73 ALDH1A1 (0.51) MAPTGAANPC1RAB9AKMT2A

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-20100099672-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-04-22 US disclosed
US-7645881-B2 Such as tert-Butyl 3-amino-5-ethyl-4,6-dimethylthieno[2,3-B]pyridine-2-carboxylate which inhibits replication PTC THERAPEUTICS, INC. (US) 2010-01-12 US disclosed
EP-1781289-A1 THIENOPYRIDINES FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2007-05-09 EP disclosed
WO-2006019832-A1 THIENOPYRIDINES FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2006-02-23 WO disclosed
US-20060019976-A1 Such as tert-Butyl 3-amino-5-ethyl-4,6-dimethylthieno[2,3-B]pyridine-2-carboxylate which inhibits replication PTC THERAPEUTICS, INC. 2006-01-26 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 (2 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-20100099672-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS MAPT 4291/4885GAA 140/4885NPC1 291/4885
US-20060019976-A1 Such as tert-Butyl 3-amino-5-ethyl-4,6-dimethylthieno[2,3-B]pyridine-2-carboxylate which inhibits replication DIMT1, EIF2AK2, ELL MAPT 3978/4885GAA 2018/4885NPC1 2625/4885

“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.