SCHEMBL716174

SCHEMBL716174

Cc1ccc(NC(=O)C2CCCCC2)cc1Cc1nc(-c2cccnc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
TP53 P04637 1/20 0.54
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ABL1 P00519 3/20 0.51
PDGFRB P09619 1/20 0.51
BCR P11274 1/20 0.51
SRC P12931 1/20 0.51
PDGFRA P16234 1/20 0.51
DYRK1A Q13627 2/20 0.49
DYRK1B Q9Y463 2/20 0.49
BRAF P15056 1/20 0.48
CLK1 P49759 1/20 0.46
HASPIN Q8TF76 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 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
SCHEMBL5159104 0.90 DYRK1A (0.45) KDM4ETP53RAB9ANPC1SMN1; SMN2
SCHEMBL718339 0.83 RAB9A (0.44) KDM4ERAB9ANPC1SMN1; SMN2ABL1
SCHEMBL10083419 0.81 GAA (0.62) KDM4ETP53RAB9ANPC1SMN1; SMN2
SCHEMBL716307 0.80 KDM4E (0.52) KDM4ERAB9ANPC1SMN1; SMN2ABL1
SCHEMBL714837 0.78 NPC1 (0.53) KDM4ETP53RAB9ANPC1SMN1; SMN2
SCHEMBL720659 0.78 ABL1 (0.59) KDM4ETP53RAB9ANPC1SMN1; SMN2
SCHEMBL718546 0.77 ABL1 (0.49) KDM4ESMN1; SMN2ABL1PDGFRBBCR
SCHEMBL4902752 0.77 ALDH1A1 (0.54) KDM4ERAB9ANPC1SMN1; SMN2BRAF
SCHEMBL5503213 0.76 ABL1 (0.51) KDM4ESMN1; SMN2ABL1PDGFRBBCR
SCHEMBL718122 0.76 ABL1 (0.58) RAB9ANPC1ABL1PDGFRBBCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053186-A1 2-(3-AMINOARYL) AMINO-4-ARYL-THIAZOLES AND THEIR USE AS C-KIT INHIBITORS AB SCIENCE (FR) 2012-03-01 US disclosed
US-20110201620-A1 2-(3-AMINOARYL) AMINO-4-ARYL-THIAZOLES AND THEIR USE AS C-KIT INHIBITORS AB SCIENCE (FR) 2011-08-18 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 (2 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-20120053186-A1 2-(3-AMINOARYL) AMINO-4-ARYL-THIAZOLES AND THEIR USE AS C-KIT INHIBITORS KIT, CHUK, MAP3K2 KDM4E 727/4885TP53 336/4885RAB9A 1947/4885
US-20110201620-A1 2-(3-AMINOARYL) AMINO-4-ARYL-THIAZOLES AND THEIR USE AS C-KIT INHIBITORS KIT, ABL1, MUSK KDM4E 609/4885TP53 553/4885RAB9A 599/4885

“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.