SCHEMBL4844936

SCHEMBL4844936

Fc1ccc(Oc2nc(OCCN3CCOCC3)c3c(-c4ccccc4Cl)n[nH]c3n2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.41
EGFR P00533 2/20 0.41
BRD4 O60885 1/20 0.40
HTR2A P28223 3/20 0.39
HTR2C P28335 2/20 0.39
GRM4 Q14833 1/20 0.38
ERBB2 P04626 1/20 0.38
MET P08581 1/20 0.38
FLT3 P36888 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4837424 0.96 EGFR (0.41) MAPK14EGFRBRD4HTR2AHTR2C
SCHEMBL4832943 0.93 TSHR (0.39) MAPK14EGFRHTR2AHTR2CERBB2
SCHEMBL4836011 0.92 ERBB2 (0.40) MAPK14EGFRERBB2MET
SCHEMBL4842056 0.88 EGFR (0.40) MAPK14EGFRERBB2MET
SCHEMBL4837191 0.88 MAPK14 (0.46) MAPK14EGFRBRD4ERBB2
SCHEMBL14019076 0.87 SCN9A (0.45) MAPK14BRD4ALDH1A1
SCHEMBL4832958 0.86 SCN9A (0.46) MAPK14BRD4ALDH1A1KDM4E
SCHEMBL4832587 0.86 CYP1A2 (0.44) MAPK14ALDH1A1CYP1A2CYP2C19ALOX15
SCHEMBL13769733 0.86 MAPK14 (0.40) MAPK14BRD4ALDH1A1KDM4E
SCHEMBL4841046 0.85 SMN1; SMN2 (0.42) MAPK14FLT3ALDH1A1CYP1A2CYP2C19

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 70/4885EGFR 2649/4885BRD4 729/4885

“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.