SCHEMBL3558571

SCHEMBL3558571

CSc1ncc(C#N)c(-c2cnc3c(O)cccn23)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
NTRK1 P04629 1/20 0.32
KDM4E B2RXH2 6/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MPI P34949 1/20 0.32
CDK2 P24941 1/20 0.32
GABRA1 P14867 4/20 0.32
GABRG2 P18507 4/20 0.32
GABRB3 P28472 4/20 0.32
GABRA3 P34903 4/20 0.32
GABRA5 P31644 3/20 0.32
GABRA2 P47869 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 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
SCHEMBL2200361 0.88 KDM4E (0.42) IRAK4KDM4EALDH1A1GLAGAA
SCHEMBL3554797 0.88 ABL1 (0.33) IGF1RIRAK4NTRK1KDM4EALDH1A1
SCHEMBL3552402 0.87 GABRA1 (0.38) IGF1RIRAK4KDM4EALDH1A1GABRA1
SCHEMBL2200414 0.87 BRD4 (0.38) IGF1RIRAK4KDM4EALDH1A1LMNA
SCHEMBL3546879 0.87 IGF1R (0.34) IGF1RIRAK4NTRK1KDM4ECDK2
SCHEMBL3552658 0.86 GABRA1 (0.40) IGF1RIRAK4ALDH1A1CDK2GABRA1
SCHEMBL3557071 0.86 MKNK1 (0.36) IGF1RNTRK1KDM4EALDH1A1CDK2
SCHEMBL3553100 0.85 KDM4E (0.39) IGF1RKDM4ECDK2BRD4
SCHEMBL2198656 0.85 BRD4 (0.35) IGF1RIRAK4NTRK1KDM4EALDH1A1
SCHEMBL2198235 0.84 KDM4E (0.32) IGF1RIRAK4NTRK1KDM4ECDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 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 (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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A IGF1R 101/4885IRAK4 720/4885NTRK1 2168/4885

“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.