SCHEMBL13645864

SCHEMBL13645864

COCCOCOc1cccc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
ACHE P22303 1/20 0.50
MAPK1 P28482 1/20 0.49
DRD3 P35462 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAOB P27338 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.44
F2 P00734 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 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
SCHEMBL14972871 0.88 MAPK1 (0.61) DRD2DRD4ACHEMAPK1DRD3
SCHEMBL13645892 0.88 MAPK1 (0.61) DRD2DRD4ACHEMAPK1DRD3
SCHEMBL20126667 0.88 MAPK1 (0.61) DRD2DRD4ACHEMAPK1DRD3
SCHEMBL12463 0.85 ACHE (0.57) DRD2DRD4ACHEMAPK1DRD3
SCHEMBL21966595 0.84 ACHE (0.52) DRD2DRD4ACHEMAPK1DRD3
SCHEMBL761063 0.83 ACHE (0.59) DRD2DRD4ACHEDRD3L3MBTL1
SCHEMBL6089644 0.81 APP (0.41) MAPK1L3MBTL1MAOBKDM4ECYP1A2
SCHEMBL6087766 0.81 CHRNB2 (0.53) DRD2DRD4MAPK1DRD3CYP1A2
SCHEMBL9369921 0.81 KCNA3 (0.50) DRD2DRD4DRD3RAB9AKMT2A
SCHEMBL10511421 0.81 ACHE (0.60) DRD2DRD4ACHEDRD3L3MBTL1

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 DRD2 4227/4885DRD4 4612/4885ACHE 4424/4885

“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.