SCHEMBL19626314

SCHEMBL19626314

Cc1nc2c(C(=O)O)nc(C)n2c(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.31
PDE10A Q9Y233 1/20 0.31
MAPT P10636 1/20 0.30
APAF1 O14727 1/20 0.30
HTT P42858 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL19626312 0.84 MEN1 (0.33) ALDH1A1KDM4ESMN1; SMN2PKM
SCHEMBL19626313 0.78 KDM4E (0.35) ALDH1A1KDM4ESMN1; SMN2PDE10AGAA
SCHEMBL14341758 0.69 ADORA2A (0.32) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL19677954 0.69 MEN1 (0.35) ALDH1A1KDM4ESMN1; SMN2PKMPDE10A
SCHEMBL5484430 0.66 MEN1 (0.41) HTT
SCHEMBL19036911 0.66 KDM4E (0.45) ALDH1A1KDM4ESMN1; SMN2PKMPDE10A
SCHEMBL19680298 0.64 KDM4E (0.62) ALDH1A1KDM4ESMN1; SMN2PKMMAPT
SCHEMBL12758040 0.63 PDE10A (0.38) ALDH1A1KDM4ESMN1; SMN2PKMPDE10A
SCHEMBL14525123 0.63 HTT (0.38) ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL20348409 0.62 HSD17B10 (0.41) ALDH1A1KDM4ESMN1; SMN2PKMPDE10A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333435-A1 SUBSTITUTED IMIDAZO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - BIOTECH INVESTMENTS, INC. (PT) 2017-11-23 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-20170333435-A1 SUBSTITUTED IMIDAZO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, PARK7 ALDH1A1 1325/4885KDM4E 710/4885SMN1; SMN2 12/4885

“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.