SCHEMBL9918523

SCHEMBL9918523

C#CCOc1ccc(Nc2c(C(N)=O)nnc3[nH]ccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
ENPP3 O14638 1/20 0.39
TTBK1 Q5TCY1 13/20 0.38
TTBK2 Q6IQ55 13/20 0.38
PARP1 P09874 1/20 0.37
EGFR P00533 1/20 0.36
AURKB Q96GD4 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
CSF1R P07333 1/20 0.34
GMPS P49915 1/20 0.33

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
SCHEMBL9918522 0.84 CSF1R (0.38) TTBK1TTBK2EGFRHDAC2HDAC8
SCHEMBL9918517 0.84 RET (0.35) TTBK1TTBK2EGFRAURKB
SCHEMBL9918524 0.81 TTBK1 (0.41) TTBK1TTBK2CSF1R
SCHEMBL9921765 0.80 TTBK1 (0.40) MAPTTTBK1TTBK2EGFRAURKB
SCHEMBL9918542 0.78 TTBK1 (0.37) MAPTTTBK1TTBK2EGFRAURKB
SCHEMBL9918520 0.75 CSF1R (0.32) EGFRCSF1R
SCHEMBL9918529 0.73 JAK1 (0.34) TTBK1TTBK2
SCHEMBL12833307 0.71 LRRK2 (0.43) MAPTTTBK1TTBK2CSF1R
SCHEMBL9918530 0.71 LRRK2 (0.38)
SCHEMBL9918545 0.70 CSF1R (0.46) MAPTCSF1R

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 MAPT 4399/4885ENPP3 1949/4885TTBK1 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.