SCHEMBL1851371

SCHEMBL1851371

O=[N+]([O-])c1cccc(-c2nn(CCF)cc2-c2ccncc2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PDE10A Q9Y233 6/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL12491354 0.82 MAPK1 (0.48) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL1847930 0.80 PDE10A (0.48) PDE10ASLC6A3
SCHEMBL1848411 0.79 PDE4D (0.48) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL1848555 0.77 MEN1 (0.67) MEN1KMT2AALDH1A1
SCHEMBL17088201 0.72 PDE10A (0.63) PDE10ASLC6A3
SCHEMBL1759075 0.72 SLC6A3 (0.59) PDE10ASLC6A3
SCHEMBL2649031 0.72 MAPT (0.64) PDE4DALDH1A1
SCHEMBL1847994 0.71 BRAF (0.60)
Ammonia Solution, Strong SCHEMBL27579962 0.70 NPC1 (0.62) PDE4APDE4BPDE4DALDH1A1
Hydrochloric Acid SCHEMBL9528174 0.70 NPC1 (0.62) PDE4APDE4BPDE4DALDH1A1

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 PDE4A 590/4885PDE4B 581/4885PDE4C 679/4885
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 PDE4A 590/4885PDE4B 581/4885PDE4C 679/4885

“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.