SCHEMBL3755970

SCHEMBL3755970

Nc1nc2[nH]c(=O)[nH]c(=O)c2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 1.00
MAPT P10636 2/20 0.41
CXCR2 P25025 3/20 0.37
CXCR1 P25024 1/20 0.37
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
BLM P54132 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ADORA2B P29275 2/20 0.34
RAB9A P51151 2/20 0.34
CYP1A2 P05177 1/20 0.34
PABPC1 P11940 1/20 0.34
ADORA2A P29274 1/20 0.34
CYP2C19 P33261 1/20 0.34
CASP7 P55210 1/20 0.34
PMP22 Q01453 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TYMP P19971 4/20 0.33
PKM P14618 2/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL842227 0.82 RPS6KA3 (0.70) RPS6KA3MAPTCXCR2CXCR1KDM4E
SCHEMBL8664722 0.76 RPS6KA3 (0.61) RPS6KA3MAPTKDM4EALDH1A1BLM
SCHEMBL1194456 0.76 RPS6KA3 (0.61) RPS6KA3MAPTKDM4EALDH1A1BLM
SCHEMBL6866810 0.69 RPS6KA3 (0.53) RPS6KA3CXCR2CXCR1
Thiazolopyrimidine SCHEMBL1703410 0.68 RPS6KA3 (0.52) RPS6KA3MAPTCXCR2CXCR1KDM4E
SCHEMBL338384 0.68 RPS6KA3 (0.52) RPS6KA3MAPTKDM4EALDH1A1PMP22
SCHEMBL6975489 0.65 RPS6KA3 (0.49) RPS6KA3MAPTKDM4EALDH1A1PMP22
SCHEMBL8435570 0.65 RPS6KA3 (0.49) RPS6KA3MAPTKDM4EALDH1A1PMP22
SCHEMBL5036641 0.65 RPS6KA3 (0.48) RPS6KA3MAPTKDM4EALDH1A1CYP1A2
SCHEMBL4752792 0.64 RPS6KA3 (0.47) RPS6KA3MAPTHSD17B10SMN1; SMN2GAA

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
EP-2207774-B1 TRIAZOLE DERIVATIVES AS SCD INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-04-13 EP disclosed
US-20120225878-A1 COMPOUNDS BOUILLOT ANNE MARIE JEANNE (FR) 2012-09-06 US disclosed
US-8207204-B2 Triazole derivatives as SCD inhibitors GLAXOSMITHKLINE LLC (US) 2012-06-26 US disclosed
US-20100297097-A1 COMPOUNDS GLAXOSMITHKLINE LLC 2010-11-25 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-20100297097-A1 COMPOUNDS APP, BACE1, SCD RPS6KA3 3322/4885MAPT 67/4885CXCR2 2674/4885
US-20120225878-A1 COMPOUNDS CYP11B2, CYP11B1, SCD RPS6KA3 2324/4885MAPT 3973/4885CXCR2 2368/4885

“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.