SCHEMBL9282437

SCHEMBL9282437

COc1cc(CP(=O)(O)O)c(Cl)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
NPC1 O15118 1/20 0.40
PGK1 P00558 1/20 0.40
PGK2 P07205 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
HTR4 Q13639 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
PKM P14618 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
SLC22A1 O15245 1/20 0.35
HTR3B O95264 1/20 0.35
MPO P05164 1/20 0.35
CYP1A2 P05177 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL2637341 0.81 PGK1 (0.40) GAAPGK1PGK2TAAR1L3MBTL1
SCHEMBL19175614 0.78 GAA (0.60) GAANPC1TAAR1L3MBTL1POLB
SCHEMBL3045991 0.77 PGK1 (0.52) PGK1PGK2TAAR1L3MBTL1HTT
SCHEMBL9275238 0.77 ALDH1A1 (0.45) NPC1L3MBTL1ALDH1A1LMNAHTT
SCHEMBL4549702 0.76 GAA (0.53) GAANPC1TAAR1L3MBTL1ALDH1A1
SCHEMBL19174706 0.75 GAA (0.60) GAANPC1TAAR1L3MBTL1POLB
SCHEMBL16117953 0.73 GAA (0.57) GAANPC1TAAR1L3MBTL1POLB
SCHEMBL19180928 0.73 GAA (0.49) GAANPC1TAAR1L3MBTL1POLB
SCHEMBL9416808 0.71 GAA (0.78) GAANPC1TAAR1L3MBTL1POLB
SCHEMBL2636910 0.71 ALDH1A1 (0.61) GAAPGK1PGK2TAAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646448-B1 MACROCYCLIC KINASE INHIBITORS OSI PHARMACEUTICALS LLC (US) 2017-08-30 EP disclosed
US-9133224-B2 Macrocyclic kinase inhibitors OSI Pharmaceuticals, LLC (US) 2015-09-15 US disclosed
EP-2646448-A1 MACROCYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2013-10-09 EP disclosed
US-20130261086-A1 MACROCYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2013-10-03 US disclosed
WO-2012074951-A1 MACROCYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2012-06-07 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-20130261086-A1 MACROCYCLIC KINASE INHIBITORS PTK2, SRC, PTK2B GAA 3347/4885NPC1 2605/4885PGK1 426/4885

“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.