SCHEMBL4121634

SCHEMBL4121634

NCc1cccc(OCF)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.49
NOS1 P29475 3/20 0.48
NOS2 P35228 3/20 0.48
PNMT P11086 1/20 0.45
ENPP2 Q13822 1/20 0.45
LOXL2 Q9Y4K0 2/20 0.44
TAAR1 Q96RJ0 1/20 0.43
NOS3 P29474 2/20 0.42
CFD P00746 1/20 0.41

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
Hydrochloric Acid SCHEMBL31173733 0.98 MAOB (0.50) MAOBNOS1NOS2PNMTENPP2
Hydrochloric Acid SCHEMBL25370652 0.98 MAOB (0.50) MAOBNOS1NOS2PNMTENPP2
SCHEMBL3110653 0.86 KCNH2 (0.54) MAOBNOS1NOS2PNMTENPP2
SCHEMBL13715411 0.83 BCHE (0.42) MAOBTAAR1
SCHEMBL4737237 0.80 TP53 (0.45) MAOB
SCHEMBL19375437 0.80 TSHR (0.53) MAOBNOS1NOS2ENPP2NOS3
SCHEMBL10289884 0.80 KDM4E (0.53) MAOB
SCHEMBL5666508 0.80 BCHE (0.40) MAOBTAAR1
SCHEMBL606214 0.80 TP53 (0.60) MAOBNOS1NOS2PNMTENPP2
SCHEMBL6097206 0.80 MAOB (0.49) MAOBNOS1NOS2PNMTENPP2

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 7 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-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
US-8188097-B2 Pyrazolo[1,5-A]pyrimidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 US disclosed
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds TANABE SEIYAKU CO., LTD. (JP) 2009-03-12 US disclosed
EP-1945220-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CANNABINOID RECEPTOR ANTAGONISTS Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-23 EP disclosed
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 US disclosed
WO-2007046548-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CANNABINOID RECEPTOR ANTAGONISTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-04-26 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 (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-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 MAOB 872/4885NOS1 1607/4885NOS2 1570/4885
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds RECQL, QTRT1, DPYD MAOB 674/4885NOS1 1642/4885NOS2 3231/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF MAOB 738/4885NOS1 1133/4885NOS2 1282/4885

“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.