SCHEMBL3002575

SCHEMBL3002575

O=C(NC1=NCCS1)c1nc(Sc2nnc[nH]2)cnc1Sc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 11/20 0.36
RAB9A P51151 10/20 0.36
SMN1; SMN2 Q16637 7/20 0.36
TP53 P04637 4/20 0.36
GCK P35557 2/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
HTT P42858 1/20 0.35
GFER P55789 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL13477350 0.86 GCK (0.47) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL3012154 0.80 GRM5 (0.43) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL3007341 0.80 GCK (0.40) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL3013488 0.80 KMT2A (0.40) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL3002257 0.80 GCK (0.33) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3009365 0.79 NPC1 (0.45) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL3011772 0.79 HCAR3 (0.38) LMNAGCKKDM4E
SCHEMBL3010578 0.78 KDM4E (0.35) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL3003372 0.78 GRM5 (0.38) NPC1RAB9AGCK
SCHEMBL13477361 0.78 NPC1 (0.40) LMNAALDH1A1MAPTMEN1KMT2A

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 LMNA 2444/4885ALDH1A1 2753/4885MAPT 134/4885

“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.