SCHEMBL4125987

SCHEMBL4125987

CN(Cc1nc(-c2ccccc2F)c(Sc2cnn(C)c2)s1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 3/20 0.35
POLB P06746 2/20 0.35
MAP4K1 Q92918 1/20 0.34
LMNA P02545 5/20 0.34
PIM1 P11309 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL3696080 0.88 HTR2C (0.33) PLA2G7POLBMAP4K1LMNAPIM1
SCHEMBL4125425 0.87 ALDH1A1 (0.36) POLBSMN1; SMN2ALDH1A1TDP1KDM4E
SCHEMBL3696085 0.87 MAP4K1 (0.32) PLA2G7POLBMAP4K1LMNAPIM1
SCHEMBL4125990 0.83 MAPT (0.38) POLBMAP4K1LMNAPIM1SMN1; SMN2
SCHEMBL4129846 0.81 ALDH1A1 (0.33) LMNAALDH1A1KMT2AKDM4E
SCHEMBL3807952 0.80 MAPT (0.33) LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3696083 0.79 HPGD (0.32) MAP4K1LMNAPIM1ALDH1A1KMT2A
SCHEMBL4131857 0.79 MAPT (0.31) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4131683 0.79 EDNRA (0.40) SMN1; SMN2KMT2APTGDR2
SCHEMBL4120389 0.79 HTR1A (0.33) POLBMAP4K1LMNAPIM1ALDH1A1

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 PLA2G7 162/4885POLB 4579/4885MAP4K1 2882/4885

“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.