SCHEMBL1850886

SCHEMBL1850886

COc1ccc(Cn2cc(-c3ccnc(NC4CCN(C)CC4)n3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
ACVR1 Q04771 4/20 0.41
IKBKB O14920 1/20 0.41
KMT2A Q03164 3/20 0.41
MAPK8 P45983 2/20 0.41
KCNH2 Q12809 1/20 0.41
CDK4 P11802 2/20 0.39
PIM1 P11309 1/20 0.39
CCND3 P30281 1/20 0.39
MTOR P42345 1/20 0.39
GSK3B P49841 1/20 0.39
RET P07949 1/20 0.39
CDK2 P24941 2/20 0.39
CCNE1 P24864 1/20 0.39
MAPK10 P53779 2/20 0.39
MAPK9 P45984 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL1849954 0.88 CDK5 (0.45) ACHEBACE1ACVR1IKBKBKMT2A
SCHEMBL1847299 0.85 KMT2A (0.43) ACVR1KMT2AMAPK9MEN1MAPT
SCHEMBL1847064 0.82 MAPT (0.44) KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL27813590 0.81 MAPT (0.42) KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL1847766 0.81 MAPT (0.43) KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL1846623 0.80 MAPT (0.42) KMT2AKCNH2MAPK10MEN1MAPT
SCHEMBL1847293 0.79 KMT2A (0.45) KMT2AMAPK8KCNH2MAPK10MAPK9
SCHEMBL1850730 0.78 MAPK8 (0.46) ACHEKMT2AMAPK8KCNH2MAPK10
SCHEMBL1851520 0.77 MAPK8 (0.45) ACHEKMT2AMAPK8KCNH2MAPK10
SCHEMBL1846522 0.77 KMT2A (0.46) KMT2AMAPK8KCNH2MAPK10MAPK9

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 ACHE 4352/4885BACE1 4346/4885ACVR1 3880/4885
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 ACHE 4352/4885BACE1 4346/4885ACVR1 3880/4885

“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.