SCHEMBL4844902

SCHEMBL4844902

CN(C)CCCNc1nc(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.41
KMT2A Q03164 1/20 0.40
SCN9A Q15858 1/20 0.36
FLT3 P36888 6/20 0.36
MAPK11 Q15759 1/20 0.35
ILK Q13418 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL4833067 0.90 MAPK14 (0.42) MAPK14MAPK11
SCHEMBL4013138 0.87 MAPK14 (0.43) MAPK14MAPK11KDM4EHTT
SCHEMBL4844809 0.87 MAPK14 (0.53) MAPK14SCN9AMAPK11
SCHEMBL4841030 0.86 MAPK14 (0.41) MAPK14MAPK11
SCHEMBL4845225 0.86 MAPK14 (0.38) MAPK14KMT2AFLT3MAPK11
SCHEMBL4845194 0.86 MAPK8 (0.45) MAPK14
SCHEMBL4840590 0.85 MAPK14 (0.40) MAPK14MAPK11
SCHEMBL4840801 0.85 MAPK14 (0.59) MAPK14SCN9AMAPK11
SCHEMBL4842430 0.85 MAPK14 (0.41) MAPK14MAPK11
SCHEMBL4842831 0.85 MAPK14 (0.42) MAPK14SCN9AMAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US claimed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed
US-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-08 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 (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-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same MAP3K1, MAPK1, MAP3K8 MAPK14 70/4885KMT2A 2973/4885SCN9A 4259/4885

“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.