SCHEMBL3557071

SCHEMBL3557071

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.36
IGF1R P08069 2/20 0.36
CDK2 P24941 1/20 0.35
NTRK1 P04629 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 5/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 2/20 0.33
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 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
SCHEMBL3558571 0.86 IGF1R (0.33) IGF1RCDK2NTRK1MAPTKDM4E
SCHEMBL3554797 0.84 ABL1 (0.33) IGF1RCDK2NTRK1MAPTKDM4E
SCHEMBL2200361 0.84 KDM4E (0.42) RXFP1MAPTKDM4EALDH1A1HSD17B10
SCHEMBL2198656 0.83 BRD4 (0.35) IGF1RCDK2NTRK1NPC1RAB9A
SCHEMBL2200414 0.83 BRD4 (0.38) IGF1RNPC1RAB9ARXFP1MAPT
SCHEMBL3552402 0.83 GABRA1 (0.38) IGF1RMAPTKDM4EALDH1A1GABRA1
SCHEMBL2198235 0.82 KDM4E (0.32) IGF1RCDK2NTRK1KDM4EGABRA1
SCHEMBL3546879 0.82 IGF1R (0.34) IGF1RCDK2NTRK1THRBKDM4E
SCHEMBL3552658 0.81 GABRA1 (0.40) IGF1RCDK2RXFP1TP53ALDH1A1
SCHEMBL3554819 0.81 KDM4E (0.32) IGF1RCDK2KDM4EGABRA1GABRG2

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 MKNK1 213/4885IGF1R 101/4885CDK2 72/4885

“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.