SCHEMBL1846495

SCHEMBL1846495

O=[N+]([O-])c1cccc(-c2c(-c3ccncc3)cnn2-c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
RAB9A P51151 7/20 0.61
NPC1 O15118 6/20 0.61
CYP2C9 P11712 6/20 0.61
HPGD P15428 3/20 0.61
CYP2C19 P33261 3/20 0.61
GFER P55789 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
GAA P10253 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CASP3 P42574 1/20 0.52
HTT P42858 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
CYP2C18 P33260 4/20 0.47
CYP2C8 P10632 1/20 0.47
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46

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
SCHEMBL1845653 0.79 NPC1 (0.52) MAPTRAB9ANPC1CYP2C9HPGD
SCHEMBL8531929 0.75 NPC1 (0.50) MAPTRAB9ANPC1CYP2C9HPGD
SCHEMBL1848555 0.74 MEN1 (0.67) MAPTRAB9ANPC1CYP2C9HPGD
SCHEMBL2649031 0.73 MAPT (0.64) MAPTRAB9ANPC1CYP2C9CYP2C19
SCHEMBL31276114 0.73 MAPT (0.62) MAPTRAB9ANPC1CYP2C9HPGD
SCHEMBL7912407 0.73 NPC1 (0.65) MAPTRAB9ANPC1GAAALDH1A1
Hydrochloric Acid SCHEMBL9528174 0.72 NPC1 (0.62) MAPTRAB9ANPC1CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL27579962 0.72 NPC1 (0.62) MAPTRAB9ANPC1CYP2C9CYP2C19
SCHEMBL1845616 0.69 ALOX5 (0.51) MAPTRAB9ANPC1CYP2C9HPGD
SCHEMBL21200232 0.68 TDP1 (0.56) MAPTRAB9ANPC1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946250-B2 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-02-03 US disclosed
CN-102105459-B 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2014-09-10 CN disclosed
US-20140005150-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-01-02 US disclosed
US-8541575-B2 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-09-24 US disclosed
EP-2324008-B1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-05-09 EP disclosed
CN-102105459-A 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2011-06-22 CN disclosed
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-06-16 US disclosed
EP-2324008-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-25 EP disclosed
WO-2010010154-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-28 WO 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-20140005150-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 MAPT 3183/4885RAB9A 1760/4885NPC1 3775/4885
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 MAPT 3183/4885RAB9A 1760/4885NPC1 3775/4885

“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.