SCHEMBL9921770

SCHEMBL9921770

CN1C(=O)CSc2ccc(-n3c(=O)[nH]c4nnc5[nH]ccc5c43)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
POLB P06746 3/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 6/20 0.39
MAPK1 P28482 6/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 10/20 0.39
HTT P42858 4/20 0.39
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
USP2 O75604 4/20 0.37
TP53 P04637 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALOX15 P16050 2/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37

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
SCHEMBL9918547 0.90 JAK2 (0.32) SMN1; SMN2POLBLMNAALDH1A1MAPK1
SCHEMBL9921777 0.84 JAK1 (0.33) ALDH1A1
SCHEMBL9918554 0.81 PDE3B (0.40) PDE3BPDE3A
SCHEMBL9918552 0.80 HTT (0.39) POLBLMNAALDH1A1KMT2AMAPT
SCHEMBL9918549 0.78 JAK1 (0.32)
SCHEMBL9921664 0.71 MAP3K11 (0.41) LMNAALDH1A1KMT2ATP53
SCHEMBL9918533 0.70 MAP3K11 (0.41) SMN1; SMN2POLBALDH1A1MAPTTP53
SCHEMBL9921977 0.70 ALDH1A1 (0.47) SMN1; SMN2POLBLMNAALDH1A1MAPK1
SCHEMBL9921780 0.68 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL9921742 0.68 JAK1 (0.39)

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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 SMN1; SMN2 4199/4885POLB 3280/4885LMNA 4638/4885

“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.