Pyrophosphoric Acid

Pyrophosphoric Acid

SCHEMBL1611259

CCN(CC)CCCC(C)Nc1nc(C=Cc2ccccc2Cl)nc2cc(Cl)ccc12.O=P(O)(O)OP(=O)(O)O

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.68
ERBB4 Q15303 2/20 0.68
CSK P41240 1/20 0.68
CAMK1G Q96NX5 1/20 0.68
FLT3 P36888 3/20 0.56
CCR4 P51679 2/20 0.56
MELK Q14680 4/20 0.54
LYN P07948 1/20 0.54
FGFR1 P11362 1/20 0.54
FER P16591 1/20 0.54
MATK P42679 1/20 0.54
BLK P51451 1/20 0.54
BMX P51813 1/20 0.54
TEK Q02763 1/20 0.54
CAMK2G Q13555 1/20 0.54
CAMK2D Q13557 1/20 0.54
CAMK1 Q14012 1/20 0.54
HSD17B10 Q99714 4/20 0.51
KDM4E B2RXH2 4/20 0.51
MAPT P10636 3/20 0.51

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
SCHEMBL1612950 0.92 BTK (0.76) BTKERBB4CSKCAMK1GFLT3
SCHEMBL1612951 0.92 BTK (0.76) BTKERBB4CSKCAMK1GFLT3
Aminoquinol SCHEMBL706642 0.81 HSD17B10 (0.62) BTKERBB4CSKCAMK1GHSD17B10
Aminoquinol SCHEMBL29578527 0.81 HSD17B10 (0.62) BTKERBB4CSKCAMK1GHSD17B10
Aminoquinol SCHEMBL706641 0.81 HSD17B10 (0.62) BTKERBB4CSKCAMK1GHSD17B10
SCHEMBL3542142 0.80 CCR4 (0.72) BTKERBB4CSKCAMK1GFLT3
SCHEMBL3542141 0.80 CCR4 (0.72) BTKERBB4CSKCAMK1GFLT3
SCHEMBL3541032 0.80 CCR4 (0.71) BTKERBB4CSKCAMK1GFLT3
SCHEMBL3541029 0.80 CCR4 (0.71) BTKERBB4CSKCAMK1GFLT3
SCHEMBL7619465 0.79 BTK (0.71) BTKERBB4CSKCAMK1GFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160058749-A1 TREATMENTS FOR NEUROPATHY CHILDRENS MEDICAL CENTER (US) 2016-03-03 US disclosed
US-20160045487-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROPATHY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-18 US disclosed
US-20110086878-A1 Treatments for Neuropathy NIH-DEITR 2011-04-14 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 (3 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-20160058749-A1 TREATMENTS FOR NEUROPATHY NGF, BDNF, NTRK2 BTK 4200/4885ERBB4 1119/4885CSK 3142/4885
US-20160045487-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROPATHY PMP22, GAP43, NGF BTK 3547/4885ERBB4 1537/4885CSK 4098/4885
US-20110086878-A1 Treatments for Neuropathy NGF, BDNF, NTRK2 BTK 4200/4885ERBB4 1119/4885CSK 3142/4885

“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.