SCHEMBL878705

SCHEMBL878705

Oc1ncnc2c1cnn2-c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.47
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 2/20 0.45
ALOX15 P16050 1/20 0.45
SLC2A1 P11166 1/20 0.43
SLC2A2 P11168 1/20 0.43
SLC2A3 P11169 1/20 0.43
KCNH2 Q12809 7/20 0.43
S1PR2 O95136 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
EGFR P00533 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
PI4KA P42356 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
SCHEMBL838812 0.89 P2RX7 (0.44) GCKALDH1A1MAPTMAPK1LMNA
SCHEMBL838405 0.86 TP53 (0.44) GCKALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL839210 0.85 GCK (0.47) GCKALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL839501 0.84 MAPK14 (0.48) GCKALDH1A1MAPTLMNAKCNH2
SCHEMBL839270 0.84 GCK (0.46) GCKALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL849766 0.82 MAPT (0.46) ALDH1A1SMN1; SMN2MAPTMAPK1LMNA
SCHEMBL12000897 0.82 SLC2A1 (0.53) ALDH1A1SMN1; SMN2MAPTSLC2A1SLC2A2
SCHEMBL30132097 0.82 SLC2A1 (0.41) GCKALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL10272234 0.80 CYP17A1 (0.52) GCKKCNH2CYP1A2
SCHEMBL2786952 0.79 ALDH1A1 (0.48) GCKALDH1A1SMN1; SMN2MAPTLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO 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-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 GCK 1/4885ALDH1A1 1918/4885SMN1; SMN2 3257/4885

“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.