SCHEMBL9918517

SCHEMBL9918517

C#CCc1ccc(Nc2c(C(N)=O)nnc3[nH]ccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.35
LRRK2 Q5S007 3/20 0.34
TTBK1 Q5TCY1 4/20 0.33
TTBK2 Q6IQ55 4/20 0.33
NEK2 P51955 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
EGFR P00533 2/20 0.31
AURKB Q96GD4 2/20 0.31
INCENP Q9NQS7 1/20 0.31

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
SCHEMBL9918523 0.84 MAPT (0.41) TTBK1TTBK2EGFRAURKB
SCHEMBL9918524 0.78 TTBK1 (0.41) RETLRRK2TTBK1TTBK2
SCHEMBL9918520 0.77 CSF1R (0.32) LRRK2JAK2JAK1TYK2EGFR
SCHEMBL9918522 0.77 CSF1R (0.38) TTBK1TTBK2EGFR
SCHEMBL12832928 0.72 LRRK2 (0.45) LRRK2JAK2JAK1TYK2
SCHEMBL9921765 0.72 TTBK1 (0.40) LRRK2TTBK1TTBK2JAK2EGFR
SCHEMBL12833307 0.71 LRRK2 (0.43) RETLRRK2TTBK1TTBK2
SCHEMBL9918542 0.70 TTBK1 (0.37) LRRK2TTBK1TTBK2JAK2EGFR
SCHEMBL9918545 0.70 CSF1R (0.46) LRRK2
SCHEMBL9918525 0.70 KCNH2 (0.33) JAK2JAK1TYK2

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 RET 475/4885LRRK2 1567/4885TTBK1 597/4885

“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.