SCHEMBL1987294

SCHEMBL1987294

C#Cc1cncc(-c2nnn(C(CC)C(=O)O)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NPSR1 Q6W5P4 1/20 0.35
KDR P35968 3/20 0.34
CYP2A6 P11509 1/20 0.34
EIF2AK2 P19525 2/20 0.33
PDGFRB P09619 1/20 0.33
SCD O00767 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
PTGES O14684 1/20 0.30
LMNA P02545 1/20 0.30
USP2 O75604 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
SCHEMBL1965405 0.85 KDM4E (0.50) MAPK1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL1992948 0.82 SMN1; SMN2 (0.49) MAPK1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL1967150 0.81 ALDH1A1 (0.56) MAPK1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL12563346 0.74 MAPT (0.55) MAPK1ALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL1393716 0.74 SMN1; SMN2 (0.58) MAPK1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL1395381 0.74 ALDH1A1 (0.58) MAPK1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL14629954 0.72 ALDH1A1 (0.70) MAPK1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL1238494 0.68 KDM4E (0.51) MAPK1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL1394766 0.67 SMN1; SMN2 (0.53) MAPK1ALDH1A1SMN1; SMN2KDM4EHPGD
Hydrochloric Acid SCHEMBL3711354 0.66 ALDH1A1 (0.49) MAPK1ALDH1A1SMN1; SMN2KDM4EHPGD

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-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2011-06-23 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-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 MAPK1 2189/4885ALDH1A1 518/4885SMN1; SMN2 2669/4885

“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.