SCHEMBL9921740

SCHEMBL9921740

O=c1[nH]c2nnc3c(c2n1-c1ccccc1Oc1cccnc1)CCN3

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.38
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
BRD4 O60885 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
P2RX7 Q99572 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
NAMPT P43490 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP19A1 P11511 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
HTR1A P08908 1/20 0.31
SLC6A3 Q01959 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL9918532 0.80 GRM5 (0.40) GRM5ALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL21056431 0.65 CRBN (0.49) GRM5ALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL5335460 0.65 HTR1A (0.71) GRM5SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL3205934 0.58 LMNA (0.45) GRM5ALDH1A1SMN1; SMN2KDM4EPIM1
SCHEMBL5332097 0.56 LMNA (0.53) GRM5ALDH1A1SMN1; SMN2MAPK1HSD17B10
SCHEMBL11477740 0.56 TDP1 (0.53) GRM5ALDH1A1SMN1; SMN2P2RX7MAPK1
SCHEMBL5318974 0.56 LMNA (0.53) GRM5ALDH1A1SMN1; SMN2MAPK1HSD17B10
SCHEMBL11483460 0.56 LMNA (0.53) GRM5ALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL11478665 0.56 LMNA (0.53) GRM5ALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL9922005 0.56 LMNA (0.53) GRM5ALDH1A1SMN1; SMN2KDM4EMAPK1

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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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 (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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 GRM5 3096/4885ALDH1A1 1507/4885SMN1; SMN2 4199/4885

“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.