SCHEMBL9923065

SCHEMBL9923065

CCOC(=O)c1ccc2c(Cl)c(C#N)cnn12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.51
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 4/20 0.51
HPGD P15428 1/20 0.51
POLB P06746 2/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
MAP2K1 Q02750 5/20 0.40
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5136981 0.86 KDM4E (0.52) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL9920364 0.79 KDM4E (0.39) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL14757965 0.79 RAB9A (0.44) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL1160709 0.77 TSHR (0.42) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL9923415 0.76 KDM4E (0.54) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL14757969 0.75 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL12066102 0.75 KDM4E (0.41) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL5137204 0.75 MAP4K4 (0.45) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL358541 0.73 ALDH1A1 (0.40) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL5148646 0.71 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
WO-2013033093-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-07 WO disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011150356-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
WO-2011014817-A1 PYRROLO [1, 2-B] PYRIDAZINE DERIVATIVES AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-02-03 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 (2 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 KDM4E 449/4885ALDH1A1 1632/4885HSD17B10 2734/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 KDM4E 396/4885ALDH1A1 1654/4885HSD17B10 2047/4885

“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.