SCHEMBL3289972

SCHEMBL3289972

Cc1ccc(Oc2cccc(C#N)c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.52
MAP4K4 O95819 1/20 0.50
KCNH2 Q12809 1/20 0.45
AR P10275 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
BRCA1 P38398 1/20 0.44
HBB P68871 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
CKS1B P61024 1/20 0.43
SKP2 Q13309 1/20 0.43
PPARG P37231 1/20 0.41
SYK P43405 1/20 0.41
MLNR O43193 1/20 0.41
EGLN1 Q9GZT9 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
SCHEMBL30006982 0.82 MAP4K4 (0.53) HRH3MAP4K4KCNH2KDM4EMEN1
SCHEMBL3287232 0.82 MAP4K4 (0.50) HRH3MAP4K4KCNH2KDM4EMEN1
SCHEMBL30005667 0.82 MAP4K4 (0.50) HRH3MAP4K4KCNH2KDM4EMEN1
SCHEMBL29123563 0.82 MAP4K4 (0.53) HRH3MAP4K4KCNH2KDM4EMEN1
SCHEMBL4598488 0.81 KDM4E (0.50) MAP4K4ARKDM4EMEN1ALDH1A1
SCHEMBL13183652 0.81 ALDH1A1 (0.51) MAP4K4KDM4EMEN1ALDH1A1BRCA1
SCHEMBL10833690 0.80 HRH3 (0.50) HRH3MAP4K4KCNH2ALDH1A1JAK2
SCHEMBL3292693 0.79 AR (0.48) HRH3MAP4K4ARALDH1A1HSD17B10
SCHEMBL24664166 0.79 MAPK1 (0.62) HRH3MAP4K4KCNH2ALDH1A1KMT2A
SCHEMBL3163774 0.79 ALDH1A1 (0.61) HRH3MAP4K4KCNH2KDM4EMEN1

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 HRH3 231/4885MAP4K4 3196/4885KCNH2 333/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 HRH3 231/4885MAP4K4 3196/4885KCNH2 333/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 HRH3 231/4885MAP4K4 3196/4885KCNH2 333/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 HRH3 191/4885MAP4K4 3318/4885KCNH2 281/4885

“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.