SCHEMBL18198216

SCHEMBL18198216

Fc1ccc(-c2cc3n(n2)CCNC3)nc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.50
KCNH2 Q12809 1/20 0.47
PDCD1 Q15116 2/20 0.46
CD274 Q9NZQ7 2/20 0.46
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL16700558 0.81 PDCD1 (0.52) PDCD1CD274
SCHEMBL29831821 0.78 GRM5 (0.53) GRM5KCNH2
SCHEMBL29050018 0.78 GRM5 (0.53) GRM5KCNH2
SCHEMBL30605079 0.77 GRM5 (0.52) GRM5KCNH2
SCHEMBL16682688 0.77 PDCD1 (0.54) GRM5PDCD1CD274JAK2JAK1
SCHEMBL29050010 0.75 GRM5 (0.50) GRM5KCNH2
SCHEMBL29514224 0.75 GRM5 (0.50) GRM5KCNH2
SCHEMBL16699354 0.75 PDCD1 (0.58) PDCD1CD274
SCHEMBL17925497 0.75 WNT1 (0.46) GRM5PDCD1CD274
SCHEMBL30605074 0.74 GRM5 (0.49) GRM5KCNH2CYP1A2

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-20160318933-A1 FUSED PYRAZOLE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-11-03 US disclosed
US-20160318933-A1 FUSED PYRAZOLE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-11-03 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-20160318933-A1 FUSED PYRAZOLE DERIVATIVE DRD4, DRD2, DRD3 GRM5 185/4885KCNH2 617/4885PDCD1 2704/4885

“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.