SCHEMBL20668014

SCHEMBL20668014

CCc1nc(NCCc2ccc(Cl)cc2Cl)c2cc(C)sc2n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.37
AKT3 Q9Y243 4/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
RAB9A P51151 1/20 0.36
PRKCI P41743 1/20 0.35
PTGDR Q13258 3/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR1 P21554 2/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 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
SCHEMBL31044942 0.88 NPC1 (0.45) GPR84NPC1GALR3NR2F2RAB9A
SCHEMBL31044754 0.85 RAB9A (0.44) NPC1GALR3NR2F2RAB9AALDH1A1
SCHEMBL31045064 0.83 NPC1 (0.42) GPR84NPC1GALR3NR2F2RAB9A
SCHEMBL31044923 0.82 CRHR1 (0.37) NPC1GALR3NR2F2RAB9ACNR1
SCHEMBL31044932 0.81 NPC1 (0.39) HPGDNPC1GALR3NR2F2RAB9A
SCHEMBL31045140 0.81 NPC1 (0.45) NPC1GALR3NR2F2RAB9AALDH1A1
SCHEMBL31044664 0.81 NPC1 (0.37) NPC1GALR3NR2F2RAB9APRKCI
SCHEMBL31044686 0.80 PDE4B (0.36) NPC1GALR3NR2F2RAB9APRKCI
SCHEMBL20668024 0.78 KDM4E (0.44) HPGDALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL20667996 0.78 APP (0.46) NPC1GALR3NR2F2RAB9A

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-20220117968-A1 THIENO[2,3-D)PYRIMIDINES AND BENZOFURO(3,2-D)PYRIMIDINES AS ANTIMICROBIAL AGENTS SAINT LOUIS UNIVERSITY 2022-04-21 US disclosed
WO-2019018359-A1 THIENO[2,3-D)PYRIMIDINES AND BENZOFURO(3,2-D)PYRIMIDINES AS ANTIMICROBIAL AGENTS SAINT LOUIS UNIVERSITY (US) 2019-01-24 WO 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-20220117968-A1 THIENO[2,3-D)PYRIMIDINES AND BENZOFURO(3,2-D)PYRIMIDINES AS ANTIMICROBIAL AGENTS TYMS, DPYD, UMPS GPR84 4501/4885AKT3 1328/4885HPGD 430/4885

“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.