SCHEMBL3144809

SCHEMBL3144809

Nc1ccc(CNC(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)CN2CCCCC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.41
▸ NPFFR1 Q9GZQ6 1/20 0.41
▸ NPFFR2 Q9Y5X5 1/20 0.41
▸ PSMB8 P28062 4/20 0.41
▸ PSMB5 P28074 4/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ SIGMAR1 Q99720 3/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ OXTR P30559 1/20 0.39
▸ NAMPT P43490 2/20 0.38
▸ PSMB9 P28065 1/20 0.38
▸ PSMB10 P40306 1/20 0.38
▸ PSMB2 P49721 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL3144799 1.00 PIK3CA (0.41) PIK3CANPFFR1NPFFR2PSMB8PSMB5
SCHEMBL3146146 0.90 CTSL (0.44) PIK3CAPSMB8PSMB5NFKB1NFKB2
SCHEMBL3146114 0.90 CTSL (0.44) PIK3CAPSMB8PSMB5NFKB1NFKB2
SCHEMBL3149826 0.87 ALDH1A1 (0.41) PIK3CAPSMB8PSMB5NFKB1NFKB2
SCHEMBL3149873 0.87 ALDH1A1 (0.41) PIK3CAPSMB8PSMB5NFKB1NFKB2
SCHEMBL1432829 0.87 NAMPT (0.45) PIK3CAPSMB8PSMB5NFKB1NFKB2
SCHEMBL1432832 0.87 NAMPT (0.45) PIK3CAPSMB8PSMB5NFKB1NFKB2
SCHEMBL3153536 0.86 F2R (0.41) PIK3CAPSMB8PSMB5NFKB1NFKB2
SCHEMBL3153513 0.86 F2R (0.41) PIK3CAPSMB8PSMB5NFKB1NFKB2
SCHEMBL3148190 0.86 HRH3 (0.41) HRH3KLKB1NAMPTFURIN

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 PIK3CA 3830/4885NPFFR1 695/4885NPFFR2 915/4885

“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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