SCHEMBL4837418

SCHEMBL4837418

O=C1CCCN1CCNc1nc(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.40
ADORA1 P30542 1/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
ADRA1B P35368 2/20 0.34
BRD4 O60885 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
MALT1 Q9UDY8 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
PARP1 P09874 1/20 0.33
PDE4B Q07343 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK11 Q15759 1/20 0.33

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
SCHEMBL4840495 0.89 MAPK14 (0.41) MAPK14BRD4MAPK11
SCHEMBL4840514 0.89 SCN9A (0.42) MAPK14ADORA1KDM4EALDH1A1
SCHEMBL4839495 0.88 MAPK14 (0.41) MAPK14BRD4ALDH1A1MAPK11
SCHEMBL4833744 0.88 ALDH1A1 (0.44) MAPK14BRD4IRAK4KDM4EALDH1A1
SCHEMBL4832587 0.84 CYP1A2 (0.44) MAPK14KDM4EALDH1A1SMN1; SMN2
SCHEMBL4842880 0.84 MAPK14 (0.41) MAPK14PDCD1LG2CD274BRD4MAPK11
SCHEMBL4845194 0.83 MAPK8 (0.45) MAPK14ADRA1A
SCHEMBL4020887 0.82 MAPK14 (0.41) MAPK14BRD4MAPK11
SCHEMBL4840801 0.82 MAPK14 (0.59) MAPK14BRD4MAPK11
SCHEMBL4840924 0.82 MAPK14 (0.49) MAPK14MAPK11

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 70/4885ADORA1 992/4885PDCD1LG2 3085/4885

“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.