SCHEMBL3288245

SCHEMBL3288245

NCc1cccnc1-c1ccc(F)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
MAPT P10636 2/20 0.40
MYC P01106 1/20 0.39
CYP2A6 P11509 5/20 0.37
CYP2B6 P20813 3/20 0.37
CYP2E1 P05181 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.36
ADRB2 P07550 1/20 0.36
CNR2 P34972 2/20 0.35
KCNN4 O15554 1/20 0.35
KCNA5 P22460 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
JAK2 O60674 1/20 0.34
RET P07949 1/20 0.34
KDR P35968 1/20 0.34
GSK3A P49840 1/20 0.34
RPS6KA3 P51812 1/20 0.34
LIMK1 P53667 1/20 0.34
MAP2K1 Q02750 1/20 0.34

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
SCHEMBL3711456 0.81 DPP4 (0.50) DPP4LOXL2ADRB2CYP2C19MAPK14
SCHEMBL30607540 0.80 DPP4 (0.43) DPP4MYCLOXL2KCNA5GRM5
SCHEMBL9400328 0.78 CYP2A6 (0.56) DPP4MAPTCYP2A6CYP2B6CYP2E1
SCHEMBL30332536 0.78 CYP2A6 (0.56) DPP4MAPTCYP2A6CYP2B6CYP2E1
SCHEMBL30607717 0.77 MYC (0.50) DPP4MAPTMYCCYP2A6CYP3A4
SCHEMBL30607680 0.77 LOXL2 (0.44) DPP4MYCCYP2A6LOXL2JAK2
SCHEMBL30607712 0.77 DPP4 (0.40) DPP4MYCADRB2KCNA5GRM5
SCHEMBL439097 0.76 DPP4 (0.63) DPP4LOXL2ADRB2
SCHEMBL5616194 0.75 DPP4 (0.59) DPP4LOXL2ADRB2KCNN4KCNA5
SCHEMBL30607659 0.75 DPP4 (0.41) DPP4MYCKCNN4KCNA5MAP4K1

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 DPP4 1268/4885MAPT 3496/4885MYC 4163/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 DPP4 1268/4885MAPT 3496/4885MYC 4163/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 DPP4 1268/4885MAPT 3496/4885MYC 4163/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 DPP4 1356/4885MAPT 3341/4885MYC 4240/4885

“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.