SCHEMBL1503129

SCHEMBL1503129

CNC(=O)c1cnc(C(=O)N(O)Cc2ccc(F)cc2)c(O)c1COC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.35
JAK1 P23458 8/20 0.35
TYK2 P29597 8/20 0.35
JAK2 O60674 4/20 0.35
PDE4D Q08499 3/20 0.35
MAPT P10636 1/20 0.34
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
JAK3 P52333 1/20 0.33
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2219295 0.78 HDAC6 (0.42) RIPK1MAPTHSP90AA1RAB9AKMT2A
SCHEMBL1503224 0.75 RIPK1 (0.36) RIPK1JAK1TYK2JAK2JAK3
SCHEMBL1503172 0.70 KDM4E (0.45) LIPGRAB9AKMT2A
SCHEMBL1503237 0.66 KMT2A (0.45) MAPTLIPGKMT2A
SCHEMBL1503214 0.66 HDAC1 (0.41) MAPT
SCHEMBL1503168 0.65 KMT2A (0.49) MAPTKMT2A
SCHEMBL1503251 0.65 POLB (0.46) MAPTPLA2G1BATG4B
SCHEMBL1503114 0.64 JAK2 (0.33) JAK1JAK2JAK3
SCHEMBL1503158 0.64 RIPK1 (0.40) RIPK1PDK1
SCHEMBL1503149 0.62 KMT2A (0.48) MAPTRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US claimed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US claimed
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US disclosed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US disclosed
EP-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 EP disclosed
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 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-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE PNPO, CCNB1, BLVRB RIPK1 2459/4885JAK1 818/4885TYK2 1492/4885

“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.