SCHEMBL3288435

SCHEMBL3288435

N#Cc1cccnc1N1CCC(C(F)(F)F)C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.55
▸ RECQL P46063 1/20 0.55
▸ TLR8 Q9NR97 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ LDHA P00338 1/20 0.45
▸ LCAT P04180 1/20 0.45
▸ DRD2 P14416 2/20 0.44
▸ HTR2A P28223 2/20 0.44
▸ GRM5 P41594 1/20 0.44
▸ MALT1 Q9UDY8 1/20 0.44
▸ GRM1 Q13255 2/20 0.44
▸ ACKR3 P25106 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ HSD11B1 P28845 1/20 0.43
▸ JAK2 O60674 1/20 0.41
▸ JAK3 P52333 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
SCHEMBL3287870 0.92 KDM4E (0.61) KDM4ERECQLALDH1A1MAPTLDHA
SCHEMBL3291180 0.83 KDM4E (0.67) KDM4ERECQLALDH1A1MAPTLDHA
SCHEMBL1514427 0.81 KDM4E (0.64) KDM4ERECQLALDH1A1MAPTDRD2
SCHEMBL5615322 0.81 KDM4E (0.64) KDM4ERECQLALDH1A1MAPTDRD2
SCHEMBL3289763 0.80 KDM4E (0.53) KDM4ERECQLALDH1A1MAPTDRD2
Hydrochloric Acid SCHEMBL1514615 0.80 KDM4E (0.62) KDM4ERECQLALDH1A1MAPTDRD2
SCHEMBL3288371 0.80 KDM4E (0.62) KDM4ERECQLALDH1A1MAPTLCAT
SCHEMBL23943030 0.78 TLR8 (0.72) KDM4ERECQLTLR8
SCHEMBL3290456 0.77 KDM4E (0.58) KDM4ERECQLALDH1A1MAPTDRD2
SCHEMBL3296150 0.76 MAP4K4 (0.41) TLR8HSD11B1JAK2JAK3

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 10 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
EP-1747206-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-01-31 — — EP disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 — — US disclosed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 — — 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 (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 KDM4E 3458/4885RECQL 786/4885TLR8 690/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 KDM4E 3458/4885RECQL 786/4885TLR8 690/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 KDM4E 3458/4885RECQL 786/4885TLR8 690/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 KDM4E 3452/4885RECQL 837/4885TLR8 648/4885

“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.

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