SCHEMBL4833744

SCHEMBL4833744

O=C1OCCN1CCNc1nc(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPK14 Q16539 11/20 0.40
POLB P06746 2/20 0.39
SCN9A Q15858 3/20 0.35
IRAK1 P51617 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
IDO1 P14902 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
BRD4 O60885 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
SCHEMBL4840514 0.92 SCN9A (0.42) ALDH1A1LMNAMAPK14SCN9AKDM4E
SCHEMBL4837418 0.88 MAPK14 (0.40) ALDH1A1MAPK14IRAK4KDM4EBRD4
SCHEMBL4839495 0.88 MAPK14 (0.41) ALDH1A1LMNAMAPK14SCN9ABRD4
SCHEMBL4832587 0.87 CYP1A2 (0.44) ALDH1A1LMNAMAPK14POLBKDM4E
SCHEMBL14019076 0.87 SCN9A (0.45) ALDH1A1LMNAMAPK14POLBSCN9A
SCHEMBL4840495 0.86 MAPK14 (0.41) MAPK14BRD4MAPK11
SCHEMBL4841046 0.84 SMN1; SMN2 (0.42) ALDH1A1LMNAMAPK14MAPT
SCHEMBL4020887 0.84 MAPK14 (0.41) MAPK14BRD4MAPK11
SCHEMBL4842880 0.84 MAPK14 (0.41) MAPK14BRD4MAPK11
SCHEMBL4840538 0.83 KMT2A (0.38) MAPK14SCN9AKDM4EBRD4

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 3 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-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 ALDH1A1 2715/4885LMNA 2516/4885MAPK14 70/4885

“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.