SCHEMBL12618998

SCHEMBL12618998

Cc1cc2nccn2cc1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE3A Q14432 1/20 0.47
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.38
DYRK1A Q13627 2/20 0.34
KEAP1 Q14145 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
FLT3 P36888 5/20 0.34
MERTK Q12866 5/20 0.34
AXL P30530 4/20 0.34
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL24087299 0.79 PDE4A (0.41) PDE4APDE3ACYP3A4HPGDNFKB1
SCHEMBL30446178 0.79 PDE4A (0.41) PDE4APDE3ACYP3A4HPGDNFKB1
SCHEMBL21646478 0.79 PDE4A (0.41) PDE4APDE3ACYP3A4HPGDNFKB1
SCHEMBL11985799 0.77 L3MBTL1 (0.44) PDE4APDE3ACYP3A4HPGDNFKB1
SCHEMBL407441 0.77 L3MBTL1 (0.49) PDE4APDE3ACYP3A4HPGDNFKB1
SCHEMBL338573 0.76 PDE4A (0.41) PDE4APDE3ACYP3A4HPGDNFKB1
SCHEMBL25124615 0.75 PDE4A (0.39) PDE4APDE3ACYP3A4HPGDNFKB1
Hydrochloric Acid SCHEMBL31647268 0.75 L3MBTL1 (0.47) PDE4APDE3ACYP3A4HPGDNFKB1
SCHEMBL10514600 0.74 PDE3A (0.70) PDE4APDE3ACYP3A4HPGDNFKB1
SCHEMBL10515680 0.74 PDE3A (0.54) PDE4APDE3ACYP3A4HPGDNFKB1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112867715-B 5-azaindazole derivatives as adenosine receptor antagonists 默克专利股份公司 2024-03-05 CN disclosed
EP-3870582-B1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2023-07-19 EP disclosed
EP-3870582-B1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2023-07-19 EP disclosed
US-20210380606-A1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2021-12-09 US disclosed
US-20210380606-A1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2021-12-09 US disclosed
EP-3828174-A1 PYRIDAZINONE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2021-06-02 EP disclosed
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 US disclosed
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 US disclosed
US-20100168159-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
US-20100168159-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 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 (3 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-20100168159-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 PDE4A 3449/4885PDE3A 3516/4885CYP3A4 2863/4885
US-20210380606-A1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2A, ADORA2B, ADORA1 PDE4A 67/4885PDE3A 112/4885CYP3A4 762/4885
US-20090076070-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 PDE4A 3449/4885PDE3A 3516/4885CYP3A4 2863/4885

“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.