SCHEMBL3294193

SCHEMBL3294193

Cc1ccnc(C)c1CN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.50
NOS3 P29474 5/20 0.50
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
LMNA P02545 1/20 0.36
CYP2A6 P11509 3/20 0.34
LOXL2 Q9Y4K0 4/20 0.34
LOX P28300 2/20 0.34
LOXL3 P58215 1/20 0.33
P2RX7 Q99572 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
AOC3 Q16853 1/20 0.32
NOS1 P29475 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
CYP1A2 P05177 2/20 0.32

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
Hydrochloric Acid SCHEMBL5012218 0.98 NOS2 (0.48) NOS2NOS3CCR1CCR5CCR8
Hydrochloric Acid SCHEMBL5012207 0.98 NOS2 (0.48) NOS2NOS3CCR1CCR5CCR8
SCHEMBL10399163 0.79 NOS2 (0.46) NOS2NOS3
SCHEMBL463497 0.79 NOS2 (0.63) NOS2NOS3CCR1CCR5CCR8
SCHEMBL25197333 0.78 NOS2 (0.47) NOS2NOS3CCR1CCR5CCR8
SCHEMBL7735588 0.77 NOS2 (0.45) NOS2NOS3CCR1CCR5CCR8
SCHEMBL31150926 0.77 NOS2 (0.45) NOS2NOS3CCR1CCR5CCR8
SCHEMBL27964282 0.77 NOS2 (0.45) NOS2NOS3CCR1CCR5CCR8
SCHEMBL305502 0.77 NOS2 (0.45) NOS2NOS3CCR1CCR5CCR8
SCHEMBL13059144 0.77 NOS2 (0.45) NOS2NOS3CCR1CCR5CCR8

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
WO-2021121396-A1 TRICYCLIC COMPOUND THAT ACTS AS PLASMA KALLIKREIN INHIBITOR AND USE THEREOF 成都康弘药业集团股份有限公司 2021-06-24 WO disclosed
CN-110022875-A Therapeutic inhibiting compound 莱福斯希医药公司 2019-07-16 CN disclosed
CN-107072985-A Therapeutic inhibiting compound 莱福斯希医药公司 2017-08-18 CN disclosed
CN-106061480-A Therapeutic inhibitory compounds 莱福斯希医药公司 2016-10-26 CN disclosed
US-20140378474-A1 5-membered heteroarylcarboxamide derivatives as plasma kallikrein inhibitors NOVARTIS AG (CH) 2014-12-25 US disclosed
US-20140378474-A1 5-membered heteroarylcarboxamide derivatives as plasma kallikrein inhibitors NOVARTIS AG (CH) 2014-12-25 US disclosed
US-20140378474-A1 5-membered heteroarylcarboxamide derivatives as plasma kallikrein inhibitors NOVARTIS AG (CH) 2014-12-25 US disclosed
EP-2807157-A1 5-MEMBERED HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Novartis AG (CH) 2014-12-03 EP disclosed
US-8546374-B2 Amino-tetrazoles analogues and methods of use ABBVIE INC. (US) 2013-10-01 US disclosed
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use ABBOTT LABORATORIES (US) 2008-07-17 US disclosed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US disclosed
US-5686473-A TREATING PARKINSON*S DISEASE, ALZHEIMER*S DISEASE, DEMENTIA AND PAIN SIBIA NEUROSCIENCES, INC. (US) 1997-11-11 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 (5 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 NOS2 2635/4885NOS3 2172/4885CCR1 838/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL NOS2 4592/4885NOS3 2959/4885CCR1 3270/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 NOS2 2635/4885NOS3 2172/4885CCR1 838/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 NOS2 2674/4885NOS3 2169/4885CCR1 916/4885
US-20140378474-A1 5-membered heteroarylcarboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 NOS2 2063/4885NOS3 2050/4885CCR1 2293/4885

“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.