SCHEMBL3289192

SCHEMBL3289192

NCc1cccnc1Oc1cccnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CARM1 Q86X55 2/20 0.41
MAPK8 P45983 1/20 0.38
CHRNB2 P17787 3/20 0.37
CHRNA4 P43681 3/20 0.37
PRMT6 Q96LA8 1/20 0.37
PNMT P11086 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
SLC6A2 P23975 3/20 0.35
HTR1A P08908 2/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 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
SCHEMBL3288658 0.82 ADORA2A (0.46) DPP4MEN1KMT2ACARM1CHRNB2
SCHEMBL6158881 0.81 P2RY1 (0.48) DPP4MEN1KMT2ACARM1PRMT6
SCHEMBL6160772 0.79 CARM1 (0.51) MEN1KMT2ACARM1MAPK8PRMT6
SCHEMBL904651 0.77
SCHEMBL16586557 0.76 LMNA (0.43) MEN1KMT2ACHRNB2CHRNA4ALDH1A1
SCHEMBL29587038 0.75 KDM1A (0.46) DPP4MEN1KMT2APDCD1LG2CD274
SCHEMBL1265988 0.75 KDM1A (0.46) DPP4MEN1KMT2APDCD1LG2CD274
Hydrochloric Acid SCHEMBL3294123 0.75 DPP4 (0.53) DPP4KMT2APNMTCASP3SENP8
Hydrochloric Acid SCHEMBL5008501 0.75 DPP4 (0.53) DPP4KMT2APNMTCASP3SENP8
SCHEMBL3290447 0.75 ALDH1A1 (0.53) DPP4MEN1KMT2AMAPK8ALDH1A1

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 1268/4885MEN1 3637/4885KMT2A 3615/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 DPP4 1268/4885MEN1 3637/4885KMT2A 3615/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 DPP4 1268/4885MEN1 3637/4885KMT2A 3615/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 DPP4 1356/4885MEN1 3688/4885KMT2A 3536/4885

“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.