SCHEMBL9920174

SCHEMBL9920174

CC(C)[C@@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GPR119 Q8TDV5 2/20 0.40
PANK3 Q9H999 6/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KCNH2 Q12809 1/20 0.38
PARP1 P09874 1/20 0.37
RET P07949 3/20 0.37
SGPL1 O95470 1/20 0.36
CYP11B2 P19099 1/20 0.36
SMO Q99835 1/20 0.35
USP30 Q70CQ3 1/20 0.35

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
SCHEMBL9920486 1.00 KDM4E (0.46) KDM4EALDH1A1L3MBTL1GPR119PANK3
SCHEMBL9918884 0.86 GRM5 (0.33) KDM4EALDH1A1L3MBTL1PARP1RET
SCHEMBL9918348 0.86 GRM5 (0.33) KDM4EALDH1A1L3MBTL1PARP1RET
SCHEMBL9923396 0.85 KDM4E (0.49) KDM4EALDH1A1L3MBTL1GPR119PANK3
SCHEMBL24296015 0.82 RET (0.47) KDM4EALDH1A1L3MBTL1GPR119PANK3
SCHEMBL22570975 0.82 RET (0.47) KDM4EALDH1A1L3MBTL1GPR119PANK3
SCHEMBL1021345 0.82 RET (0.47) KDM4EALDH1A1L3MBTL1GPR119PANK3
SCHEMBL9918355 0.80 HRH3 (0.37) GPR119PANK3
SCHEMBL26301186 0.80 KDM4E (0.53) KDM4EALDH1A1L3MBTL1GPR119PANK3
SCHEMBL9920475 0.78 GPR119 (0.55) KDM4EALDH1A1L3MBTL1GPR119PANK3

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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 KDM4E 449/4885ALDH1A1 1632/4885L3MBTL1 4461/4885

“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.