SCHEMBL4124015

SCHEMBL4124015

CN(Cc1nc(-c2cccnc2F)cs1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
HTR3A P46098 2/20 0.37
MMP1 P03956 4/20 0.37
MMP13 P45452 4/20 0.37
MMP2 P08253 3/20 0.37
MMP9 P14780 3/20 0.37
DHODH Q02127 2/20 0.37
NAPRT Q6XQN6 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PIK3CG P48736 1/20 0.34

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
SCHEMBL4132853 0.85 NPC1 (0.55) L3MBTL1ALDH1A1RAB9AMAPTNPC1
SCHEMBL3654453 0.84 L3MBTL1 (0.36) GRM1L3MBTL1ALDH1A1RAB9AMAPT
SCHEMBL3654456 0.83 NPC1 (0.36) GRM1L3MBTL1ALDH1A1RAB9AMAPT
SCHEMBL4124020 0.77 MAPK1 (0.46) L3MBTL1ALDH1A1RAB9AMAPTNPC1
SCHEMBL4135847 0.77 DHODH (0.40) ALDH1A1MAPTDHODHNAPRT
SCHEMBL4118030 0.76 DHODH (0.36) ALDH1A1MAPTROCK2DHODHNAPRT
SCHEMBL3654452 0.74 PIK3CG (0.37) L3MBTL1ALDH1A1RAB9AMAPTNPC1
SCHEMBL4135549 0.74 DHODH (0.36) ALDH1A1MAPTSMN1; SMN2ROCK2DHODH
SCHEMBL2338514 0.73 RAB9A (0.50) L3MBTL1ALDH1A1RAB9AMAPTNPC1
SCHEMBL4139202 0.71 DHODH (0.35) L3MBTL1ALDH1A1MAPTGAASMN1; SMN2

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 GRM1 2696/4885L3MBTL1 4714/4885ALDH1A1 1497/4885

“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.