SCHEMBL19254528

SCHEMBL19254528

CCCc1nn(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]c12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.78
PDE3B Q13370 4/20 0.68
PDE3A Q14432 4/20 0.68
PDE6A P16499 3/20 0.68
PDE2A O00408 2/20 0.68
PDE6D O43924 2/20 0.68
PDE9A O76083 2/20 0.68
PDE6G P18545 2/20 0.68
PDE4A P27815 2/20 0.68
ADORA1 P30542 2/20 0.68
ADRA1A P35348 2/20 0.68
PDE6B P35913 2/20 0.68
PDE6C P51160 2/20 0.68
PDE1A P54750 2/20 0.68
PDE1B Q01064 2/20 0.68
PDE4B Q07343 2/20 0.68
PDE4C Q08493 2/20 0.68
PDE4D Q08499 2/20 0.68
KCNH2 Q12809 2/20 0.68
CACNA1C Q13936 2/20 0.68

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
Sildenafil SCHEMBL492566 0.94 PDE5A (0.77) PDE5APDE3BPDE3APDE6APDE2A
Lodenafil SCHEMBL18416781 0.93 PDE5A (0.78) PDE5APDE3BPDE3APDE6APDE2A
SCHEMBL30199894 0.92 PDE5A (0.75) PDE5APDE3BPDE3APDE6APDE2A
SCHEMBL19518061 0.91 PDE5A (0.77) PDE5APDE3BPDE3APDE6APDE2A
Lodenafil Carbonate SCHEMBL18074278 0.90 PDE5A (0.66) PDE5APDE3BPDE3APDE6APDE2A
SCHEMBL18912665 0.87 PDE5A (0.68) PDE5APDE3BPDE3APDE6APDE2A
SCHEMBL29358004 0.87 PDE5A (1.00) PDE5APDE3BPDE3APDE6APDE2A
SCHEMBL17342850 0.87 PDE5A (1.00) PDE5APDE3BPDE3APDE6APDE2A
SCHEMBL16558010 0.87 PDE5A (0.70) PDE5APDE3BPDE3APDE6APDE2A
SCHEMBL22558019 0.87 KMT2A (0.62) PDE5APDE3BPDE3APDE6APDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3411037-B1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CANCER PATIENT STRATIFICATION AND CANCER TREATMENT Bayer Pharma AG (DE) 2021-10-20 EP disclosed
US-10966986-B2 Compounds, compositions and methods for cancer patient stratification and cancer treatment BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-04-06 US disclosed
US-20190008870-A1 COMPOSITIONS AND METHODS FOR LIPID METABOLISM DISORDER JANSFAT BIOTECHNOLOGY CO LTD (TW) 2019-01-10 US disclosed
CN-107334770-A Compositions and methods for treating disorders of lipid metabolism 健脂生物科技股份有限公司 2017-11-10 CN disclosed
EP-3241552-A1 COMPOSITIONS AND METHODS FOR LIPID METABOLISM DISORDER Jansfat Biotechnology Co., Ltd. (TW) 2017-11-08 EP disclosed
US-20170312286-A1 COMPOSITIONS AND METHODS FOR LIPID METABOLISM DISORDER JANSFAT BIOTECHNOLOGY CO., LTD. (TW) 2017-11-02 US disclosed
WO-2017134231-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CANCER PATIENT STRATIFICATION AND CANCER TREATMENT BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-10 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 (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-10966986-B2 Compounds, compositions and methods for cancer patient stratification and cancer treatment SLFN12, CREB1, CREBBP PDE5A 7/4885PDE3B 10/4885PDE3A 6/4885
US-20170312286-A1 COMPOSITIONS AND METHODS FOR LIPID METABOLISM DISORDER GYS2, PYGL, GYS1 PDE5A 14/4885PDE3B 78/4885PDE3A 69/4885
US-20190008870-A1 COMPOSITIONS AND METHODS FOR LIPID METABOLISM DISORDER GYS2, PYGL, GYS1 PDE5A 14/4885PDE3B 78/4885PDE3A 69/4885

“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.