SCHEMBL3006784

SCHEMBL3006784

COc1ccc(Sc2ncc(Sc3nnc(C)[nH]3)nc2C(=O)Nc2cnccn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GCK P35557 5/20 0.39
MAPT P10636 2/20 0.37
CYP2C19 P33261 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL3002294 0.91 POLB (0.42) POLBKDM4EGCKMAPTCYP2C19
SCHEMBL3003315 0.91 RAB9A (0.35) KDM4EMAPTCYP2C19CHRNB2CHRNB4
SCHEMBL3010505 0.86 POLB (0.42) POLBKDM4EGCKMAPTCYP2C19
SCHEMBL2999810 0.85 HPGDS (0.45) GCKRAB9AHTTMEN1NPC1
SCHEMBL3012028 0.81 RAB9A (0.34) KDM4EMAPTCYP2C19CHRNB2CHRNB4
SCHEMBL3010618 0.77 GRM5 (0.39) KDM4EGCKRAB9ASMN1; SMN2HTT
SCHEMBL3004132 0.77 RAB9A (0.35) KDM4EMAPTCYP2C19CHRNB2CHRNB4
SCHEMBL3004293 0.76 HPGDS (0.45) GCKRAB9AHTTMEN1NPC1
SCHEMBL3003611 0.76 HPGDS (0.44) GCKRAB9ASMN1; SMN2HTTMEN1
SCHEMBL3013488 0.75 KMT2A (0.40) KDM4EGCKMAPTCYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190980-A1 PYRAZINAMIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2010-07-29 US claimed
EP-2157090-A1 PYRAZINAMIDE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2010-02-24 EP claimed
US-20100190980-A1 PYRAZINAMIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2010-07-29 US disclosed
EP-2157090-A1 PYRAZINAMIDE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2010-02-24 EP 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-20100190980-A1 PYRAZINAMIDE COMPOUND KAT8, GK, KCNJ8 POLB 2632/4885KDM4E 1952/4885GCK 25/4885

“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.