SCHEMBL12640374

SCHEMBL12640374

Cc1cc(C=O)cnc1N(Cc1ccc(Cl)nc1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
MDM2 Q00987 2/20 0.35
QPCT Q16769 1/20 0.34
RAB9A P51151 3/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 2/20 0.33
ATM Q13315 1/20 0.31
TERT O14746 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL12675116 0.89 ALDH1A1 (0.39) KMT2AALDH1A1MEN1MAPTMDM2
SCHEMBL2599925 0.87 TAS2R14 (0.36) KMT2AMEN1RAB9ANR1H4
SCHEMBL12640378 0.86 PPARD (0.39) NR1H4
SCHEMBL12674823 0.84 ALDH1A1 (0.41) KMT2AALDH1A1MEN1MAPTMDM2
SCHEMBL12640354 0.82 ALDH1A1 (0.42) KMT2AALDH1A1MEN1MAPTMDM2
SCHEMBL12640371 0.80 ADORA2B (0.33)
SCHEMBL12640369 0.79 PIK3CA (0.35)
SCHEMBL12675297 0.78 ALDH1A1 (0.37) KMT2AALDH1A1MEN1MAPTMDM2
SCHEMBL12674774 0.77 ALDH1A1 (0.42) KMT2AALDH1A1MEN1MAPTMDM2
SCHEMBL12640364 0.77 SLC13A5 (0.37) POLB

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-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
WO-2011057022-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-12 WO disclosed
US-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-05-12 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 (2 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-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF KMT2A 1521/4885ALDH1A1 2981/4885MEN1 301/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF KMT2A 1521/4885ALDH1A1 2981/4885MEN1 301/4885

“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.