SCHEMBL950618

SCHEMBL950618

COCc1ncc2n1C(=O)N(C1CCNCC1)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.35
F2 P00734 3/20 0.35
PLAT P00750 2/20 0.32
TP53 P04637 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
MAP4K3 Q8IVH8 5/20 0.31
KHK P50053 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
SYK P43405 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
CDK4 P11802 1/20 0.30
CCNA2 P20248 1/20 0.30
CCND1 P24385 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL947603 0.84 F10 (0.33) F10F2
SCHEMBL950873 0.83 F10 (0.35) F10F2
SCHEMBL951029 0.83 F10 (0.37) F10F2PLATTP53
SCHEMBL949125 0.79 F10 (0.43) F10F2TP53HTR2AHTR2C
Hydrochloric Acid SCHEMBL947935 0.79 F10 (0.38) F10F2
SCHEMBL949948 0.78 F10 (0.36) F10F2PLATJAK2JAK1
Hydrochloric Acid SCHEMBL947909 0.78 F10 (0.43) F10F2TP53KHKJAK2
Hydrochloric Acid SCHEMBL949142 0.77 EPHX1 (0.37) F10F2
SCHEMBL947735 0.75 SMN1; SMN2 (0.48) F10F2
SCHEMBL951913 0.74 F2 (0.35) F10F2

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-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 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 (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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 F10 545/4885F2 2/4885PLAT 462/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 F10 490/4885F2 1/4885PLAT 464/4885

“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.