SCHEMBL7743984

SCHEMBL7743984

O=[N+]([O-])c1cn(P)c2nccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
MAPT P10636 7/20 0.38
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
TDP1 Q9NUW8 4/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
CTSB P07858 2/20 0.38
HSP90AA1 P07900 2/20 0.38
OPRK1 P41145 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
BRD4 O60885 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ALOX12 P18054 1/20 0.38
ADRA2B P18089 1/20 0.38

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
SCHEMBL17676166 0.76 ALDH1A1 (0.35) PDE10AMAPTALDH1A1KDM4EMEN1
SCHEMBL12146965 0.75 POLB (0.53) PDE10AMAPTALDH1A1KDM4EMEN1
SCHEMBL1093205 0.68 EGFR (0.34) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL7738685 0.67 NUDT1 (0.31)
SCHEMBL10195823 0.67 MEN1 (0.34) PDE10AMEN1KMT2APDE4D
SCHEMBL5260391 0.63 PDE10A (0.62) PDE10AMAPTALDH1A1KDM4EMEN1
SCHEMBL29684098 0.61 TDP1 (0.48) PDE10AMAPTALDH1A1KDM4EMEN1
SCHEMBL7478482 0.60 ALDH1A1 (0.64) PDE10AMAPTALDH1A1KDM4EMEN1
SCHEMBL544726 0.59 MAPK1 (0.47) PDE10AMAPTALDH1A1KDM4EMEN1
SCHEMBL949962 0.59 PDE10A (1.00) PDE10AMAPTALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119637-B2 Substituted pyrrolo[2,3-b]pyrazines and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-02-21 US disclosed
US-8110576-B2 Pyrrolo(2,3-b)pyrazine compounds; Raf kinase inhibitors including A-Raf, B-Raf and/or c-Raf-1 oncogenes; melanoma, colorectal cancer, thyroid cancer, ovarian cancer, cholangiocarcinoma, pain or polycystic kidney disease PLEXXIKON INC. (US) 2012-02-07 US disclosed
US-8110576-B2 Pyrrolo(2,3-b)pyrazine compounds; Raf kinase inhibitors including A-Raf, B-Raf and/or c-Raf-1 oncogenes; melanoma, colorectal cancer, thyroid cancer, ovarian cancer, cholangiocarcinoma, pain or polycystic kidney disease PLEXXIKON INC. (US) 2012-02-07 US disclosed
WO-2009152083-A1 5H-PYRR0L0 [2,3-B] PYRAZINE DERIVATIVES FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-12-17 WO disclosed
WO-2009152087-A1 BICYCLIC HETEROARYL COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-12-17 WO disclosed
US-20090306086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-12-10 US disclosed
US-20090306087-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2009-12-10 US disclosed
US-20090306087-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2009-12-10 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-20090306087-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, PRKACA, RAF1 PDE10A 831/4885MAPT 3110/4885ALDH1A1 1732/4885
US-20090306086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKACA, KIT, FLT3 PDE10A 833/4885MAPT 4189/4885ALDH1A1 3573/4885

“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.