SCHEMBL3346950

SCHEMBL3346950

CCn1c(C)nnc1-c1ccc(C)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
RAB9A P51151 2/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CASP1 P29466 1/20 0.37
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL3344533 0.81 TSHR (0.42) TSHRRAB9AHSD17B10KDM4EALDH1A1
SCHEMBL3348744 0.78 TSHR (0.50) TSHRRAB9AHSD17B10KDM4EALDH1A1
SCHEMBL20021735 0.70 KMT2A (0.52) TSHRHSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL31661348 0.70 CYP3A4 (0.62) TSHRRAB9AHSD17B10KDM4EALDH1A1
SCHEMBL6866139 0.70 CYP3A4 (0.62) TSHRRAB9AHSD17B10KDM4EALDH1A1
SCHEMBL14077125 0.69 MAPT (0.62) TSHRRAB9AHSD17B10KDM4EALDH1A1
SCHEMBL3348708 0.67 SMN1; SMN2 (0.50) TSHRRAB9AHSD17B10KDM4EALDH1A1
SCHEMBL3217142 0.66 PRMT5 (0.45) TSHRRAB9AHSD17B10KDM4EALDH1A1
SCHEMBL24623117 0.65 RAB9A (0.53) TSHRRAB9AHSD17B10KDM4EALDH1A1
SCHEMBL11965639 0.65 NOTUM (0.59) TSHRRAB9AKDM4EALDH1A1LMNA

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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 TSHR 1051/4885RAB9A 1850/4885HSD17B10 4607/4885

“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.