SCHEMBL4842342

SCHEMBL4842342

CC(O)C(Nc1nc(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3Cl)c12)C(=O)N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SCN9A Q15858 1/20 0.37
MAPK11 Q15759 1/20 0.35
GPR6 P46095 2/20 0.35
BRD4 O60885 1/20 0.35
EPAS1 Q99814 1/20 0.34
TSHR P16473 1/20 0.33
HTR2C P28335 1/20 0.33
ERBB2 P04626 1/20 0.33
KCNH2 Q12809 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
SCHEMBL14019002 1.00 MAPK14 (0.38) MAPK14SMN1; SMN2ALDH1A1HPGDSCN9A
SCHEMBL4837025 0.88 MAPK14 (0.37) MAPK14SMN1; SMN2ALDH1A1HPGDSCN9A
SCHEMBL14018996 0.88 MAPK14 (0.37) MAPK14SMN1; SMN2ALDH1A1HPGDSCN9A
SCHEMBL4837496 0.87 MAPK14 (0.42) MAPK14MAPK11
SCHEMBL14018995 0.87 MAPK14 (0.42) MAPK14MAPK11
SCHEMBL14019012 0.85 MAPK14 (0.41) MAPK14MAPK11
SCHEMBL4842888 0.85 MAPK14 (0.41) MAPK14MAPK11
SCHEMBL4842380 0.84 MAPK14 (0.39) MAPK14ALDH1A1SCN9ABRD4TSHR
SCHEMBL4841342 0.84 MAPK14 (0.40) MAPK14MAPK11
SCHEMBL14018983 0.84 MAPK14 (0.40) 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 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 MAPK14 70/4885SMN1; SMN2 2168/4885ALDH1A1 2715/4885

“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.