SCHEMBL3153536

SCHEMBL3153536

Nc1ccc(CNC(=O)C(Cc2ccc(F)c(F)c2)NC(=O)CN2CCCC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 8/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ F2 P00734 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ PSMB5 P28074 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PSMB8 P28062 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PKM P14618 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
SCHEMBL3153513 1.00 F2R (0.41) F2RALDH1A1PDPK1PIK3CAKDM4E
SCHEMBL3149873 0.99 ALDH1A1 (0.41) F2RALDH1A1PDPK1PIK3CAKDM4E
SCHEMBL3149826 0.99 ALDH1A1 (0.41) F2RALDH1A1PDPK1PIK3CAKDM4E
SCHEMBL1432304 0.92 PSMB8 (0.46) PDPK1KLKB1PSMB5PSMB8
SCHEMBL1432296 0.92 PSMB8 (0.46) PDPK1KLKB1PSMB5PSMB8
SCHEMBL1432829 0.90 NAMPT (0.45) ALDH1A1PIK3CAKDM4ENAMPTNFKB1
SCHEMBL1432832 0.90 NAMPT (0.45) ALDH1A1PIK3CAKDM4ENAMPTNFKB1
SCHEMBL3146114 0.87 CTSL (0.44) PIK3CANFKB1PSMB5NFKB2RELA
SCHEMBL3146146 0.87 CTSL (0.44) PIK3CANFKB1PSMB5NFKB2RELA
SCHEMBL1433567 0.86 POLB (0.50) ALDH1A1KDM4EKLKB1PSMB5LMNA

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-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 — — 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 F2R 284/4885ALDH1A1 147/4885PDPK1 1972/4885

“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.

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