SCHEMBL5049518

SCHEMBL5049518

CCc1cc(-c2ccc(Cl)cc2)nc2c(C(=O)Nc3cccc(S(C)(=O)=O)c3)cnn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 4/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.48
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
TP53 P04637 3/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.42
KIF18A Q8NI77 1/20 0.42
CCR1 P32246 1/20 0.42
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NTRK1 P04629 1/20 0.41
MET P08581 1/20 0.41

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
SCHEMBL5044950 0.93 MAPK1 (0.48) MAPK1KDM4EKMT2AHTTCA12
SCHEMBL5047662 0.92 CA2 (0.55) MAPK1KDM4EKMT2AHTTCA12
SCHEMBL5045912 0.90 MAPK1 (0.52) MAPK1KDM4EKMT2AHTTCA12
SCHEMBL5045481 0.89 ALDH1A1 (0.51) MAPK1KDM4EKMT2AHTTCA12
SCHEMBL5048260 0.87 KIF18A (0.51) MAPK1KDM4EKMT2AHTTCA12
SCHEMBL5044930 0.86 KDM4E (0.54) MAPK1KDM4EKMT2AHTTCA12
SCHEMBL5039326 0.86 KMT2A (0.40) MAPK1KDM4EKMT2AHTTCA12
SCHEMBL5049382 0.86 CA2 (0.53) MAPK1KDM4EKMT2AHTTCA12
SCHEMBL5046768 0.85 HSD17B10 (0.56) MAPK1KDM4EKMT2AHTTTP53
SCHEMBL5048443 0.85 MAPK1 (0.50) MAPK1KDM4EKMT2AHTTCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378417-B2 Pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US claimed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 US claimed
US-7378417-B2 Pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 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-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 MAPK1 1732/4885KDM4E 3638/4885KMT2A 3706/4885

“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.