SCHEMBL13645690

SCHEMBL13645690

CC(=O)NC(C(=O)Nc1ccncc1)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
MAPK1 P28482 1/20 0.63
FFAR2 O15552 1/20 0.51
EPHX1 P07099 1/20 0.49
USP2 O75604 1/20 0.48
LMNA P02545 3/20 0.48
MDM2 Q00987 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 1/20 0.44
AAK1 Q2M2I8 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL13645665 0.83 SMN1; SMN2 (0.57) USP2LMNAPOLBSMN1; SMN2KMT2A
SCHEMBL13645720 0.78 KMT2A (0.59) LMNAPOLBSMN1; SMN2HTTKMT2A
SCHEMBL21067559 0.78 TSHR (1.00) TSHRMAPK1LMNASMN1; SMN2HTT
SCHEMBL21067561 0.78 TSHR (1.00) TSHRMAPK1LMNASMN1; SMN2HTT
SCHEMBL1911525 0.77 MDM2 (0.59) FFAR2LMNAMDM2TDP1SMN1; SMN2
SCHEMBL48610 0.74 TSHR (0.69) TSHREPHX1MDM2TDP1SMN1; SMN2
SCHEMBL15432240 0.74 TAAR1 (0.59) TSHRFFAR2LMNAMDM2TDP1
SCHEMBL17706677 0.74 MAPT (0.51) USP2LMNATDP1POLBSMN1; SMN2
SCHEMBL13645654 0.74 POLB (0.58) FFAR2LMNAPOLBSMN1; SMN2
Water SCHEMBL11515613 0.73 TSHR (0.67) TSHREPHX1MDM2TDP1SMN1; SMN2

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-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 TSHR 3257/4885MAPK1 203/4885FFAR2 3170/4885

“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.