SCHEMBL13430532

SCHEMBL13430532

Cc1cc(-c2c(-c3ccc(F)cc3)nc3n2CCC3)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.58
TGFBR2 P37173 2/20 0.52
PDE10A Q9Y233 1/20 0.49
MAPK14 Q16539 6/20 0.46
MAPK13 O15264 4/20 0.46
MAPK12 P53778 4/20 0.46
MAPK11 Q15759 4/20 0.46
CSNK1D P48730 5/20 0.45
CSNK1E P49674 5/20 0.45
ATM Q13315 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
KCNH2 Q12809 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
SCHEMBL27309763 0.86 ATM (0.61) TGFBR1TGFBR2PDE10AATMPSEN1
SCHEMBL9524502 0.86 PDE10A (0.50) TGFBR1TGFBR2PDE10AMAPK14MAPK13
SCHEMBL7374657 0.85 PDE10A (0.47) TGFBR1TGFBR2PDE10AMAPK14MAPK13
SCHEMBL27310627 0.84 PDE10A (0.46) TGFBR1TGFBR2PDE10AMAPK14MAPK13
SCHEMBL9436258 0.83 TGFBR1 (0.69) TGFBR1TGFBR2PDE10AMAPK14MAPK13
SCHEMBL7378515 0.82 TGFBR1 (0.65) TGFBR1TGFBR2PDE10AMAPK14MAPK13
SCHEMBL7343693 0.82 TGFBR1 (0.65) TGFBR1TGFBR2PDE10AMAPK14MAPK13
SCHEMBL17767553 0.82 TGFBR1 (0.59) TGFBR1TGFBR2PDE10AMAPK14MAPK13
SCHEMBL9524516 0.80 PDE10A (0.41) TGFBR1TGFBR2PDE10AATMPDE4D
SCHEMBL9700043 0.79 TGFBR1 (0.60) TGFBR1TGFBR2PDE10AMAPK14MAPK13

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-20100069436-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT Merckle (DE) 2010-03-18 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 (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-20100069436-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT MIF, TNF, IL1B TGFBR1 680/4885TGFBR2 817/4885PDE10A 2639/4885

“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.