SCHEMBL4138886

SCHEMBL4138886

CN(Cc1nc(-c2cccnc2F)c(Sc2ccc(Cl)nc2)s1)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.32
ROCK2 O75116 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30

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
SCHEMBL4129846 0.90 ALDH1A1 (0.33) KDM4EMEN1ALDH1A1KMT2AHDAC3
SCHEMBL3650940 0.88 CACNA1G (0.32) ROCK2
SCHEMBL4135549 0.88 DHODH (0.36) DHODHROCK2ALDH1A1KMT2AHDAC3
SCHEMBL4123409 0.87 DHODH (0.34) DHODHROCK2HDAC3HDAC4HDAC6
SCHEMBL4118235 0.85 DHODH (0.37) DHODHROCK2KDM4EMEN1ALDH1A1
SCHEMBL4138889 0.83 NPC1 (0.34) DHODHROCK2KDM4EMAPK1
SCHEMBL3652323 0.83 L3MBTL1 (0.31) DHODHMEN1ALDH1A1KMT2AHDAC3
SCHEMBL3653891 0.82 ALDH1A1 (0.36) ROCK2KDM4EMAPK1ALDH1A1KMT2A
SCHEMBL4137738 0.80 EDNRA (0.37) MEN1KMT2A
SCHEMBL4125986 0.79 ALDH1A1 (0.40) DHODHROCK2KDM4EMAPK1MEN1

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
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 DHODH 1560/4885ROCK2 2658/4885KDM4E 3808/4885

“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.