SCHEMBL6419984

SCHEMBL6419984

Cc1cnc2ccc(C#N)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.42
CYP11B2 P19099 3/20 0.41
CYP11B1 P15538 2/20 0.41
HPGDS O60760 1/20 0.41
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
GSK3B P49841 1/20 0.40
CSNK1G2 P78368 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2A6 P11509 1/20 0.38

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
SCHEMBL6422468 0.93 GRM5 (0.42) GRM5CYP11B2CYP11B1HPGDSCSNK1A1
SCHEMBL1641277 0.87 PIK3CD (0.46)
SCHEMBL3374018 0.86 HPGDS (0.47) GRM5HPGDS
SCHEMBL1641499 0.80 PIK3CD (0.46)
SCHEMBL620757 0.79 ALDH1A1 (0.47) GRM5CYP11B2CYP11B1HPGDSCSNK1A1
SCHEMBL4726632 0.79 CDC7 (0.41) HPGDSCSNK1A1GSK3BALDH1A1KDM4E
SCHEMBL13668594 0.79 PIN1 (0.40) CYP11B2CYP11B1HPGDSCSNK1A1CSNK1D
SCHEMBL6226444 0.78 ENPP2 (0.47)
SCHEMBL18703825 0.75 CYP1A2 (0.52) CYP11B2CYP11B1HPGDSCSNK1A1CSNK1D
SCHEMBL16289110 0.75 CYP1A2 (0.52) CYP11B2CYP11B1HPGDSCSNK1A1CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227978-A1 Fibrosis inhibitor SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2005-10-13 US disclosed
EP-1479384-A1 FIBROSIS INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-11-24 EP disclosed
US-20040209939-A1 Pyrrole derivatives SUMITOMO PHARMACEUTICALS CO., LTD. 2004-10-21 US disclosed
US-6759429-B2 HAVING TRANSFORMING GROWTH FACTOR- BETA INHIBITORY ACTIVITY AND BEING USEFUL AS FIBROSIS INHIBITORS FOR ORGANS OR TISSUES SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2004-07-06 US disclosed
US-20030181496-A1 Pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2003-09-25 US disclosed
EP-1310485-A1 PYRROLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-05-14 EP 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 (3 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-20050227978-A1 Fibrosis inhibitor SMAD3, MMP1, SMAD2 GRM5 3101/4885CYP11B2 356/4885CYP11B1 350/4885
US-20030181496-A1 Pyrrole derivatives NCOA1, PKD1, NR3C2 GRM5 2566/4885CYP11B2 65/4885CYP11B1 71/4885
US-20040209939-A1 Pyrrole derivatives NCOA1, PKD1, NCOR1 GRM5 2748/4885CYP11B2 68/4885CYP11B1 69/4885

“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.