SCHEMBL4287464

SCHEMBL4287464

CCOC(=O)n1nc(NC(=O)c2c(F)cccc2[N+](=O)[O-])c2c1C(C)(C)N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 6/20 0.33
ALDH1A1 P00352 6/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
C5AR1 P21730 1/20 0.33
GLA P06280 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32
GPR174 Q9BXC1 2/20 0.32
PRKCB P05771 1/20 0.32
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL17872102 0.84 KMT2A (0.44) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL22164627 0.83 LMNA (0.41) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL4427637 0.83 KMT2A (0.36) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL1894646 0.82 MAPT (0.37) KMT2AMEN1POLBMAPTALDH1A1
Hydrochloric Acid SCHEMBL4427627 0.82 KMT2A (0.36) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL1371183 0.81 IGF1R (0.34) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL3457275 0.81 CDK2 (0.47) MAPTALDH1A1SMN1; SMN2CDK7CCNH
SCHEMBL4291423 0.80 BTK (0.36) KMT2AMEN1MAPTALDH1A1C5AR1
SCHEMBL13857359 0.79 MAPT (0.46) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL1987097 0.79 SIRT6 (0.39) POLBMAPTALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461193-B2 Substituted pyrrolo-pyrazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-06-11 US disclosed
US-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-06-25 US disclosed
EP-1963326-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-03 EP disclosed
WO-2007068637-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-21 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 (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-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K5, MAP3K19, MAP3K3 KMT2A 1621/4885MEN1 4100/4885POLB 1301/4885

“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.