SCHEMBL461493

SCHEMBL461493

Cn1cnc(-c2ccccc2F)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.41
MAPK14 Q16539 1/20 0.40
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
KDR P35968 1/20 0.38
APOBEC3A P31941 2/20 0.38
PRKD3 O94806 1/20 0.38
CLK2 P49760 1/20 0.38
DYRK1A Q13627 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
KDM4C Q9H3R0 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
KDM4A O75164 1/20 0.37
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
ACMSD Q8TDX5 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
SCHEMBL12457299 0.83 NSD2 (0.40) GRIA2GRIA4KDRAPOBEC3APRKD2
SCHEMBL14397428 0.79 KDR (0.37) KDRAPOBEC3AKDM4CCTDSP1APOBEC3G
SCHEMBL10082090 0.79 TAAR1 (0.48) GRIA2GRIA4KDM4C
SCHEMBL4801949 0.79 KDR (0.54) KDRAPOBEC3AKDM4CCTDSP1APOBEC3G
SCHEMBL6638107 0.77 KMT2A (0.42) KDM4C
SCHEMBL12457441 0.73 MBNL1 (0.37) MAPK14NPC1KDM5B
SCHEMBL12523118 0.72 LMNA (0.38) MAPK14GRIA2GRIA4NPC1RAB9A
SCHEMBL14953477 0.71 KDM5B (0.39) DHODHGRIA2GRIA4PRKD3CLK2
SCHEMBL14953430 0.71 MAPT (0.40) DHODHGRIA2GRIA4PRKD3CLK2
SCHEMBL21880074 0.71 APOBEC3A (0.41) KDRAPOBEC3AKDM4CCTDSP1APOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 EP disclosed
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 EP disclosed
EP-2614052-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 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 (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-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, HCRTR1 DHODH 4066/4885MAPK14 3731/4885GRIA2 2056/4885

“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.