SCHEMBL2703264

SCHEMBL2703264

O=C1c2ccccc2C(=O)N1CCP(=O)(Cl)Cl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.53
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP3 P42574 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
USP2 O75604 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL11999134 0.81 GLS (0.53) GLSTSHRMAPK1
SCHEMBL9242647 0.81 TSHR (0.56) GLSTSHRMAPK1CASP3RAB9A
SCHEMBL11949603 0.80 CASP3 (0.47) GLSCASP3ALDH1A1
SCHEMBL6699936 0.79 GLS (0.71) GLSCASP3RAB9ASMN1; SMN2NPC1
SCHEMBL17427523 0.77 HPGD (0.50) GLSTSHRRAB9ASMN1; SMN2NPC1
SCHEMBL10898616 0.77 HPGD (0.51) GLSTSHRCASP3RAB9ASMN1; SMN2
SCHEMBL2705935 0.77 HPGD (0.50) GLSTSHRRAB9ASMN1; SMN2NPC1
SCHEMBL7431247 0.76 TSHR (0.56) TSHRMAPK1SMN1; SMN2TDP1L3MBTL1
SCHEMBL29750183 0.75 GLS (0.61) GLSCASP3RAB9ASMN1; SMN2NPC1
SCHEMBL2296434 0.75 GLS (0.61) GLSCASP3RAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987284-B2 Phosphorus containing quinazoline compounds and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-03-24 US disclosed
US-20120196833-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE NEWGEN THERAPEUTICS, INC. 2012-08-02 US disclosed
EP-2448409-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE Newgen Therapeutics, Inc. (US) 2012-05-09 EP disclosed
WO-2011002523-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE KANIONUSA INC. (US) 2011-01-06 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-20120196833-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE PPIP5K2, PIK3CA, PHKA1 GLS 524/4885TSHR 2366/4885MAPK1 383/4885

“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.