SCHEMBL14496502

SCHEMBL14496502

CN(C)C(=O)C(CNC(=O)C(=O)Nc1ccc(Cl)cn1)NC(=O)c1ccc(C(=N)N)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 19/20 0.48
▸ KLKB1 P03952 1/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL14496461 0.88 F10 (0.44) F10KLKB1KCNH2TP53TSHR
SCHEMBL14514659 0.87 F10 (0.36) F10KLKB1KCNH2
SCHEMBL14496477 0.86 F10 (0.43) F10KLKB1KCNH2TP53TSHR
SCHEMBL14496429 0.86 F10 (0.44) F10KLKB1KCNH2TP53TSHR
SCHEMBL14497096 0.86 F10 (0.44) F10KLKB1KCNH2TP53TSHR
SCHEMBL14496458 0.86 F10 (0.44) F10KCNH2TP53TSHRNFKB1
Hydrochloric Acid SCHEMBL5548478 0.85 F10 (0.43) F10KLKB1KCNH2TP53TSHR
SCHEMBL14496431 0.84 F10 (0.42) F10KLKB1KCNH2TP53TSHR
SCHEMBL14496435 0.84 DEGS1 (0.48) F10TP53TSHRNFKB1RAB9A
SCHEMBL14496418 0.84 GRM5 (0.48) F10KCNH2TP53TSHRNFKB1

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-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 — — 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S F10 238/4885KLKB1 2523/4885KCNH2 267/4885

“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.

Send feedback