SCHEMBL9921664

SCHEMBL9921664

COc1ccc(-n2c(=O)[nH]c3nnc4[nH]ccc4c32)cc1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 9/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 2/20 0.39
NTRK1 P04629 2/20 0.39
IGF1R P08069 2/20 0.39
FGFR1 P11362 2/20 0.39
NTRK2 Q16620 2/20 0.39
LRRK2 Q5S007 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
JAK2 O60674 5/20 0.37
JAK1 P23458 5/20 0.37
TYK2 P29597 5/20 0.37
JAK3 P52333 5/20 0.37
BRD9 Q9H8M2 1/20 0.36

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
SCHEMBL9918533 0.88 MAP3K11 (0.41) MAP3K11CYP2C9ALDH1A1LRRK2KDM4E
SCHEMBL9921741 0.83 ESR1 (0.38) MAP3K11ALDH1A1NTRK1IGF1RFGFR1
SCHEMBL9921742 0.82 JAK1 (0.39) JAK2JAK1TYK2JAK3
SCHEMBL9918534 0.74 TSHR (0.35) MAP3K11CYP2C9ALDH1A1LRRK2LMNA
SCHEMBL9918535 0.73 JAK1 (0.38) JAK2JAK1TYK2JAK3
SCHEMBL9918552 0.72 HTT (0.39) ALDH1A1LMNAHPGDKMT2AJAK2
SCHEMBL9921771 0.71 KDM4E (0.39) MAP3K11ALDH1A1KDM4EHPGDJAK1
SCHEMBL9921770 0.71 SMN1; SMN2 (0.42) ALDH1A1LMNATP53KMT2A
SCHEMBL9918554 0.70 PDE3B (0.40) MAP3K11JAK2JAK1JAK3
SCHEMBL9918550 0.70 PRKCA (0.30) MAP3K11

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 MAP3K11 9/4885CYP2C9 914/4885ALDH1A1 1507/4885

“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.