SCHEMBL212851

SCHEMBL212851

O=CNc1nnc(-c2ccncc2)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.61
HPGD P15428 7/20 0.61
ALDH1A1 P00352 7/20 0.61
HSD17B10 Q99714 4/20 0.61
POLB P06746 1/20 0.61
ALOX15 P16050 1/20 0.61
KMT2A Q03164 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
GAA P10253 1/20 0.54
RCE1 Q9Y256 1/20 0.54
MAPK8 P45983 3/20 0.51
MAPK10 P53779 3/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
HTT P42858 3/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
PKM P14618 1/20 0.49
BLM P54132 4/20 0.48

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
SCHEMBL13222434 0.84 CA1 (0.56) KDM4EALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL12882390 0.81 SMN1; SMN2 (0.55) KDM4EHPGDALDH1A1KMT2ACYP1A2
SCHEMBL212959 0.80 RAB9A (0.60) KDM4EALDH1A1HSD17B10POLBKMT2A
SCHEMBL10561406 0.76 KDM4E (0.71) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL163040 0.76 KDM4E (1.00) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL27768554 0.74 KDM4E (0.53) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL6027517 0.70 CDK5 (0.51) KDM4EHPGDPOLBKMT2ASMN1; SMN2
SCHEMBL7933867 0.69 KDM4E (0.74) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL18292328 0.69 MAPK8 (0.72) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL27804582 0.69 KDM4E (0.74) KDM4EHPGDALDH1A1HSD17B10POLB

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
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2019-02-14 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 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-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB KDM4E 4240/4885HPGD 16/4885ALDH1A1 213/4885

“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.