SCHEMBL8736939

SCHEMBL8736939

Cc1ccc(Sc2nc3ccccc3s2)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.52
▸ MAPT P10636 6/20 0.50
▸ KMT2A Q03164 6/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ JAK2 O60674 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ LMNA P02545 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TP53 P04637 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ FBP1 P09467 2/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45

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
Hydrochloric Acid SCHEMBL10787996 0.84 CTSD (0.51) CTSDMAPTKMT2AMEN1KDM4E
SCHEMBL31038102 0.82 KMT2A (0.55) CTSDMAPTKMT2AMEN1KDM4E
SCHEMBL19840133 0.80 MAPT (0.53) CTSDMAPTKMT2AMEN1KDM4E
SCHEMBL10781795 0.80 MAPT (0.60) CTSDMAPTKMT2AMEN1KDM4E
SCHEMBL11823166 0.74 FBP1 (0.65) MAPTKMT2AMEN1KDM4EJAK2
SCHEMBL31038148 0.74 ALDH1A1 (0.54) MAPTKMT2AMEN1KDM4EJAK2
SCHEMBL8363011 0.73 FBP1 (0.58) MAPTKMT2AMEN1KDM4EJAK2
SCHEMBL31038144 0.73 ALDH1A1 (0.58) CTSDMAPTKMT2AMEN1KDM4E
SCHEMBL23258113 0.72 FBP1 (0.71) MAPTKMT2AMEN1KDM4EJAK2
SCHEMBL381557 0.72 ALDH1A1 (0.76) MAPTKMT2AKDM4EATMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 — — US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 — — US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 — — US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 — — US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 — — US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 — — US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 — — 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 (4 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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 CTSD 502/4885MAPT 825/4885KMT2A 2201/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 CTSD 502/4885MAPT 825/4885KMT2A 2201/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF CTSD 3493/4885MAPT 3056/4885KMT2A 1462/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF CTSD 3493/4885MAPT 3056/4885KMT2A 1462/4885

“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.

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