SCHEMBL9918533

SCHEMBL9918533

COc1ccc(-n2c(=O)[nH]c3nnc4[nH]ccc4c32)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 8/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
CYP2C9 P11712 2/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
LRRK2 Q5S007 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
JAK2 O60674 3/20 0.37
JAK1 P23458 3/20 0.37
TYK2 P29597 3/20 0.37
JAK3 P52333 3/20 0.37
DRD1 P21728 1/20 0.36
DRD5 P21918 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
SCHEMBL9921664 0.88 MAP3K11 (0.41) MAP3K11ALDH1A1HPGDCYP2C9LRRK2
SCHEMBL9918534 0.83 TSHR (0.35) MAP3K11ALDH1A1HPGDCYP2C9CYP1A2
SCHEMBL9918535 0.82 JAK1 (0.38) JAK2JAK1TYK2JAK3
SCHEMBL9921741 0.74 ESR1 (0.38) MAP3K11ALDH1A1SMN1; SMN2TP53JAK2
SCHEMBL9921742 0.73 JAK1 (0.39) JAK2JAK1TYK2JAK3
SCHEMBL9918552 0.71 HTT (0.39) ALDH1A1HPGDPOLBMAPTJAK2
SCHEMBL9921771 0.70 KDM4E (0.39) MAP3K11ALDH1A1HPGDPOLBKDM4E
SCHEMBL9921770 0.70 SMN1; SMN2 (0.42) ALDH1A1POLBSMN1; SMN2TP53MAPT
SCHEMBL9918554 0.70 PDE3B (0.40) MAP3K11JAK2JAK1JAK3
SCHEMBL9918547 0.69 JAK2 (0.32) MAP3K11ALDH1A1POLBSMN1; SMN2JAK2

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 MAP3K11 9/4885ALDH1A1 1507/4885HPGD 545/4885

“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.