SCHEMBL4288735

SCHEMBL4288735

O=C(O)Cn1ccnc1S

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 7/20 0.40
ESR1 P03372 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CSNK2A2 P19784 2/20 0.39
CSNK2A1 P68400 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
PTGS2 P35354 1/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
RECQL P46063 1/20 0.36
ARG1 P05089 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
SCHEMBL17153769 0.81 ESR1 (0.57) FPR2ESR1SMN1; SMN2KMT2AMAPT
SCHEMBL13623629 0.79 ALPG (0.35) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL13610791 0.78 GRIN2B (0.39) SMN1; SMN2ALDH1A1KMT2ALMNAMAPT
SCHEMBL27505442 0.76 FPR2 (0.40) FPR2ESR1SMN1; SMN2CSNK2A2CSNK2A1
SCHEMBL938206 0.76 ARG1 (0.53) FPR2ESR1SMN1; SMN2CSNK2A2CSNK2A1
SCHEMBL369240 0.76 ALPL (0.54) ESR1SMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL15501010 0.76 CSNK2A2 (0.46) FPR2ESR1SMN1; SMN2CSNK2A2CSNK2A1
SCHEMBL13610873 0.75 FPR2 (0.47) FPR2ALDH1A1KMT2ALMNA
SCHEMBL17669581 0.74 FPR2 (0.52) FPR2ESR1SMN1; SMN2CSNK2A2CSNK2A1
SCHEMBL28938190 0.74 ALPL (0.53) ESR1SMN1; SMN2ALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4662905-A REACTION PRODUCT OF COPPER SALT AND AN IMIDAZOLE, PYRAZOLE, TRIAZOLE, OR TETRAZOLE Itaru Todoriki, Director of Agency of Industrial Science and Technology (JP) 1987-05-05 US claimed
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 US disclosed
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 US disclosed
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 US disclosed
EP-1896048-A2 PITUITARY ADENYLATE CYCLASE ACTIVATING PEPTIDE (PACAP) RECEPTOR (VPAC2) AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE Bayer Pharmaceuticals Corporation (US) 2008-03-12 EP disclosed
EP-1883419-A2 GLUCAGON-LIKE PEPTIDE 1 (GLP-1) RECEPTOR AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE Bayer Pharmaceuticals Corporation (US) 2008-02-06 EP disclosed
WO-2006121588-A2 PITUITARY ADENYLATE CYCLASE ACTIVATING PEPTIDE (PACAP) RECEPTOR (VPAC2) AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed
WO-2006121904-A1 GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE (GIP) RECEPTOR AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed
WO-2006121860-A2 GLUCAGON-LIKE PEPTIDE 1 (GLP-1) RECEPTOR AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed
WO-2006091506-A2 NEUROPEPTIDE Y4 RECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 WO disclosed
WO-2006049681-A2 SELECTIVE NEUROPEPTIDE Y2 RECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-05-11 WO disclosed
WO-2006049681-A2 SELECTIVE NEUROPEPTIDE Y2 RECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-05-11 WO disclosed
US-4662905-A REACTION PRODUCT OF COPPER SALT AND AN IMIDAZOLE, PYRAZOLE, TRIAZOLE, OR TETRAZOLE Itaru Todoriki, Director of Agency of Industrial Science and Technology (JP) 1987-05-05 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 (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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use ADCYAP1R1, VIPR2, ADCY2 FPR2 642/4885ESR1 3618/4885SMN1; SMN2 2847/4885

“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.