SCHEMBL138175

SCHEMBL138175

Fc1ccc(Cc2cc(Nc3nc4ccc(OC(F)(F)F)cc4s3)nc(Cl)n2)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 4/20 0.46
DYRK1A Q13627 1/20 0.45
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL141485 0.90 LCK (0.49) CSNK1DNPC1RAB9ALMNAGAA
SCHEMBL141299 0.88 KMT2A (0.48) CSNK1DNPC1RAB9ALMNAGAA
SCHEMBL143888 0.85 LCK (0.41) CSNK1DDYRK1ANPC1RAB9ALMNA
SCHEMBL138886 0.83 LCK (0.46) CSNK1DNPC1RAB9ALMNAGAA
SCHEMBL143491 0.77 LCK (0.49) LMNAGAASMN1; SMN2LCKITK
SCHEMBL138176 0.76 LCK (0.55) CSNK1DDYRK1AHDAC3HDAC4HDAC1
SCHEMBL9776980 0.70 DYRK1A (0.70) CSNK1DDYRK1AHDAC3HDAC4HDAC1
SCHEMBL2116986 0.69 NPC1 (0.68) CSNK1DDYRK1AHDAC3HDAC4HDAC1
SCHEMBL1748078 0.68 NPC1 (0.68) CSNK1DDYRK1AHDAC3HDAC4HDAC1
SCHEMBL144539 0.68 MAPT (0.55) DYRK1ANPC1RAB9ALMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-08 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-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS DTYMK, ITK, DCK CSNK1D 437/4885DYRK1A 591/4885HDAC3 3977/4885

“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.