SCHEMBL29977012

SCHEMBL29977012

CON(C)C(=O)c1ccc2cccnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
ALOX15 P16050 1/20 0.50
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
EGLN1 Q9GZT9 1/20 0.44
PLK1 P53350 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
CYP3A4 P08684 1/20 0.43
P2RY14 Q15391 1/20 0.43
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL22116897 1.00 HTT (0.50) HTTALOX15ALDH1A1MEN1KMT2A
SCHEMBL361516 0.89 ALOX15 (0.65) HTTALOX15ALDH1A1MEN1KMT2A
SCHEMBL4655512 0.85 ALDH1A1 (0.50) HTTALOX15ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL28060875 0.84 ALDH1A1 (0.49) HTTALOX15ALDH1A1MEN1KMT2A
SCHEMBL1644909 0.82 POLB (0.56) HTTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL28488675 0.80 ALDH1A1 (0.51) HTTALOX15ALDH1A1MEN1KMT2A
SCHEMBL29893321 0.79 ALOX15 (0.77) HTTALOX15ALDH1A1MEN1KMT2A
SCHEMBL2671065 0.79 ALOX15 (0.77) HTTALOX15ALDH1A1MEN1KMT2A
SCHEMBL14333923 0.79 PLAU (0.56) HTTALOX15ALDH1A1MEN1KMT2A
SCHEMBL1515914 0.79 CES2 (0.53) ALOX15ALDH1A1MEN1KMT2ACYP3A4

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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK HTT 2851/4885ALOX15 1049/4885ALDH1A1 767/4885

“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.