SCHEMBL3289950

SCHEMBL3289950

O=C(NCc1cccnc1-c1ccccc1F)N(S)c1cccc(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.41
P2RX7 Q99572 9/20 0.40
MAPT P10636 1/20 0.39
DPP4 P27487 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.35
ADORA2A P29274 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
SCHEMBL3288908 0.93 P2RX7 (0.39) MAPK8P2RX7MAPTDPP4SMN1; SMN2
SCHEMBL3287395 0.90 P2RX7 (0.38) MAPK8P2RX7ADORA2A
SCHEMBL3290480 0.88 P2RX7 (0.44) P2RX7
SCHEMBL3293408 0.86 NPC1 (0.42) MAPK8P2RX7MAPTNPC1HPGD
SCHEMBL3288432 0.85 HSD17B13 (0.42) MAPK8P2RX7ADORA2A
SCHEMBL3288632 0.85 P2RX7 (0.39) MAPK8P2RX7
SCHEMBL3296053 0.83 P2RX7 (0.39) P2RX7MAPT
SCHEMBL3290856 0.83 MAPK8 (0.43) MAPK8P2RX7MAPTSMN1; SMN2NPC1
SCHEMBL3287255 0.82 CTSA (0.40) MAPK8P2RX7NPC1MEN1KMT2A
SCHEMBL3288585 0.82 ROCK2 (0.41) MAPK8P2RX7

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-8546374-B2 Amino-tetrazoles analogues and methods of use ABBVIE INC. (US) 2013-10-01 US disclosed
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-12-27 US disclosed
US-8217067-B2 Antiinflammatory agents, antidepressants, analgesics, purinergic receptor antagonists; neurodegenerative diseases, spinal cord injuries; 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
US-7723367-B2 Amino-tetrazoles analogues and methods of use ABBOTT LABORATORIES (US) 2010-05-25 US disclosed
US-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 US disclosed
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use ABBOTT LABORATORIES (US) 2008-07-17 US disclosed
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 US disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 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 (4 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-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use P2RX7, P2RX2, P2RX5 MAPK8 3136/4885P2RX7 1/4885MAPT 3496/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 MAPK8 3136/4885P2RX7 1/4885MAPT 3496/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 MAPK8 3136/4885P2RX7 1/4885MAPT 3496/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 MAPK8 3020/4885P2RX7 1/4885MAPT 3341/4885

“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.