SCHEMBL3514013

SCHEMBL3514013

CCCOc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
ALDH1A1 P00352 4/20 0.53
RAB9A P51151 4/20 0.51
RECQL P46063 3/20 0.51
NPC1 O15118 3/20 0.51
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.46
S1PR4 O95977 1/20 0.46
CYP19A1 P11511 1/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL10477058 0.92 MAPT (0.52) MAPTALDH1A1RAB9ARECQLNPC1
SCHEMBL3514222 0.91 MAPT (0.51) MAPTALDH1A1RAB9ARECQLNPC1
SCHEMBL1136016 0.88 MAPT (0.53) MAPTALDH1A1RAB9ARECQLNPC1
SCHEMBL310522 0.87 MAPT (0.57) MAPTALDH1A1RAB9ARECQLNPC1
SCHEMBL29382840 0.86 NPC1 (0.54) MAPTALDH1A1RAB9ARECQLNPC1
SCHEMBL2833379 0.86 NPC1 (0.54) MAPTALDH1A1RAB9ARECQLNPC1
SCHEMBL8263434 0.85 ALDH1A1 (0.51) MAPTALDH1A1RAB9ARECQLNPC1
SCHEMBL1924834 0.84 RAB9A (0.51) MAPTALDH1A1RAB9ARECQLNPC1
SCHEMBL2548000 0.84 NPC1 (0.75) MAPTALDH1A1RAB9ARECQLNPC1
SCHEMBL3533713 0.84 RAB9A (0.51) MAPTALDH1A1RAB9ARECQLNPC1

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 8 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
US-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-11-04 US disclosed
US-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-11-04 US disclosed
EP-2005177-A1 A HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM Tibotec Pharmaceuticals Ltd. (IE) 2008-12-24 EP disclosed
WO-2007113337-A1 A HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-10-11 WO 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-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM C1QBP, CD4, CHRM4 MAPT 177/4885ALDH1A1 4806/4885RAB9A 4213/4885
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 3246/4885RAB9A 299/4885

“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.