Sugi Predict

Sugi Predict / Compounds / SCHEMBL8373850

SCHEMBL8373850

SCHEMBL8373850

O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccnc1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.75
▸ MEN1 O00255 5/20 0.75
▸ CYP11B1 P15538 1/20 0.72
▸ CYP11B2 P19099 1/20 0.72
▸ ALDH1A1 P00352 3/20 0.68
▸ NAMPT P43490 1/20 0.68
▸ POLB P06746 4/20 0.67
▸ RAB9A P51151 5/20 0.64
▸ NPC1 O15118 4/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ KDM4E B2RXH2 1/20 0.59
▸ PABPC1 P11940 1/20 0.58
▸ MAPK1 P28482 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ MYOC Q99972 1/20 0.57

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
SCHEMBL6943770 0.92 KMT2A (0.65) KMT2AMEN1CYP11B1CYP11B2ALDH1A1
SCHEMBL3180203 0.86 KMT2A (1.00) KMT2AMEN1CYP11B1CYP11B2ALDH1A1
SCHEMBL6281281 0.84 CYP11B1 (0.60) KMT2AMEN1CYP11B1CYP11B2ALDH1A1
SCHEMBL7371634 0.84 CYP11B1 (1.00) KMT2ACYP11B1CYP11B2ALDH1A1NAMPT
SCHEMBL6820541 0.83 CXCR1 (0.73) KMT2AMEN1CYP11B1CYP11B2ALDH1A1
SCHEMBL6823571 0.83 CXCR1 (0.73) KMT2AMEN1CYP11B1CYP11B2ALDH1A1
SCHEMBL3460442 0.83 MEN1 (0.79) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL11055960 0.82 MEN1 (0.85) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL11551985 0.82 ALDH1A1 (0.80) KMT2AMEN1CYP11B1CYP11B2ALDH1A1
SCHEMBL6353502 0.82 CYP11B1 (0.90) KMT2AMEN1CYP11B1CYP11B2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210022340-A1 USE OF PYRIDINE UREA COMPOUND HAVING SNAIL-KILLING ACTIVITY THE NATIONAL INSTITUTE OF PARASITIC DISEASES, CHINESE CENTER FOR DISEASE CONTROL AND PREVENTION (CN) 2021-01-28 — — US disclosed
WO-2010011620-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-28 — — WO disclosed
US-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-21 — — 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 (2 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-20210022340-A1 USE OF PYRIDINE UREA COMPOUND HAVING SNAIL-KILLING ACTIVITY SLC14A1, UACA, UROD KMT2A 4029/4885MEN1 3057/4885CYP11B1 3729/4885
US-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD KMT2A 2072/4885MEN1 2469/4885CYP11B1 2163/4885

“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.