SCHEMBL16752986

SCHEMBL16752986

CCC(=O)N(C)c1cc(N2CCN(C(=O)O)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.45
ALDH1A1 P00352 8/20 0.45
DCTPP1 Q9H773 5/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
SIRT6 Q8N6T7 3/20 0.44
HTT P42858 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RECQL P46063 1/20 0.42

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
SCHEMBL16752988 1.00 MAPT (0.45) MAPTALDH1A1DCTPP1LMNASMN1; SMN2
SCHEMBL16262194 0.78 SIRT6 (0.54) MAPTALDH1A1DCTPP1LMNASMN1; SMN2
SCHEMBL16262196 0.78 SIRT6 (0.54) MAPTALDH1A1DCTPP1LMNASMN1; SMN2
SCHEMBL16752979 0.78 MAPT (0.55) MAPTALDH1A1DCTPP1LMNASMN1; SMN2
SCHEMBL3621737 0.77 MAPT (0.43) MAPTALDH1A1DCTPP1LMNASMN1; SMN2
SCHEMBL3621735 0.77 MAPT (0.43) MAPTALDH1A1DCTPP1LMNASMN1; SMN2
SCHEMBL215925 0.77 HPGD (0.68) MAPTALDH1A1DCTPP1SIRT6L3MBTL1
SCHEMBL215924 0.77 HPGD (0.68) MAPTALDH1A1DCTPP1SIRT6L3MBTL1
SCHEMBL3616153 0.76 MAPK1 (0.74) MAPTALDH1A1DCTPP1SIRT6HTT
SCHEMBL3616157 0.76 MAPK1 (0.74) MAPTALDH1A1DCTPP1SIRT6HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2883875-B1 N2,N4-BIS(4-(PIPERAZINE-1-YL)PHENYL)PIRIMIDINE-2,4-DIAMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER KOREA RES INST CHEMICAL TECH (KR) 2016-12-28 EP disclosed
US-9199944-B2 N2,N4-bis(4-(piperazine-1-yl)phenyl)pirimidine-2,4-diamine derivative or pharmaceutically acceptable salt thereof, and composition containing same as active ingredient for preventing or treating cancer KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2015-12-01 US disclosed
EP-2883875-A1 N2,N4-BIS(4-(PIPERAZINE-1-YL)PHENYL)PIRIMIDINE-2,4-DIAMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER Korea Reserach Institute Of Chemical Technology (KR) 2015-06-17 EP disclosed
US-20150152069-A1 N2,N4-BIS(4-(PIPERAZINE-1-YL)PHENYL)PIRIMIDINE-2,4-DIAMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER PINOTBIO, INC. (KR) 2015-06-04 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-20150152069-A1 N2,N4-BIS(4-(PIPERAZINE-1-YL)PHENYL)PIRIMIDINE-2,4-DIAMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER TNK2, NPM1, NEK4 MAPT 2670/4885ALDH1A1 3246/4885DCTPP1 504/4885

“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.