SCHEMBL21999447

SCHEMBL21999447

C=NCc1ccccc1/C=N\C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL23587494 0.79 GABRA1 (0.38) GAAMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL13363795 0.79 GABRA1 (0.38) GAAMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL14987827 0.72 L3MBTL1 (0.42) GAAMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL18898341 0.71 CA12 (0.36) GAAMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL21100529 0.71 GABRA1 (0.42) GAAMAPTRAB9ASMN1; SMN2
SCHEMBL13073744 0.70 GAA (0.38) GAAMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL9964995 0.70 ALDH1A1 (0.44) GAAMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL18717016 0.70 MGLL (0.42) MAPTTSHR
SCHEMBL22244499 0.69 PTGER4 (0.56) MAPTKDM4ETSHR
SCHEMBL18646748 0.68 PTGER4 (0.32)

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-10836688-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2020-11-17 US disclosed
US-20200148610-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE ABBVIE INC. 2020-05-14 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 (2 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-20200148610-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE LIPA, ALG1, CEL GAA 110/4885MAPT 3070/4885RAB9A 4242/4885
US-10836688-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose LIPA, ALG1, CEL GAA 110/4885MAPT 3070/4885RAB9A 4242/4885

“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.