Sugi Predict

Sugi Predict / Compounds / SCHEMBL5436769

SCHEMBL5436769

SCHEMBL5436769

CCCCCc1cnc(CCCCC)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ GABRA4 P48169 1/20 0.41
▸ GABRE P78334 1/20 0.41
▸ GABRA6 Q16445 1/20 0.41
▸ GABRG1 Q8N1C3 1/20 0.41
▸ GABRG3 Q99928 1/20 0.41
▸ GABRQ Q9UN88 1/20 0.41

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
SCHEMBL27329523 0.97 KCNH2 (0.56) KCNH2TDP1L3MBTL1GABRPGABRD
SCHEMBL27731599 0.95 KCNH2 (0.48) KCNH2TDP1L3MBTL1GABRPGABRD
SCHEMBL27698233 0.93 KCNH2 (0.47) KCNH2TDP1L3MBTL1GABRPGABRD
SCHEMBL12829587 0.91 KCNH2 (0.50) KCNH2TDP1L3MBTL1GABRPGABRD
SCHEMBL12301340 0.89 KCNH2 (0.44) KCNH2TDP1L3MBTL1GABRPGABRD
SCHEMBL4681499 0.89 KCNH2 (0.44) KCNH2TDP1L3MBTL1GABRPGABRD
SCHEMBL4685973 0.87 KCNH2 (0.47) KCNH2TDP1L3MBTL1GABRPGABRD
SCHEMBL25801709 0.87 KCNH2 (0.47) KCNH2TDP1L3MBTL1GABRPGABRD
SCHEMBL22341560 0.87 KCNH2 (0.47) KCNH2TDP1L3MBTL1GABRPGABRD
SCHEMBL19309229 0.87 KCNH2 (0.47) KCNH2TDP1L3MBTL1GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0256839-B1 SMOKING COMPOSITIONS CONTAINING A FLAVORANT ADDITIVE Philip Morris Products Inc. (US) 1991-11-06 — — EP claimed
US-5017235-A Smoking compositions containing a 2,5-diacylpyrazine flavorant additive PHILIP MORRIS INC. (US) 1991-05-21 — — US claimed
EP-0256839-A1 Smoking compositions containing a flavorant additive Philip Morris Products Inc. (US) 1988-02-24 — — EP claimed
US-7169790-B2 5-substituted 2-aryl-4-pyrimidinones NEUROGEN CORPORATION (US) 2007-01-30 — — US disclosed
US-20050234051-A1 5-Substituted 2-aryl-4 pyrimidinones NEUROGEN CORPORATION (US) 2005-10-20 — — US disclosed
US-6943173-B2 5-substituted 2-aryl-4-pyrimidinones NEUROGEN CORPORATION (US) 2005-09-13 — — US disclosed
US-20050176721-A1 2,5-Diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylprimidines HUANG JIANHUA (US) 2005-08-11 — — US disclosed
US-20050176721-A1 2,5-Diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylprimidines HUANG JIANHUA (US) 2005-08-11 — — US disclosed
US-6887875-B2 Bind with high selectivity and/ or high affinity to CRF1 receptors (Corticotropin Releasing Factor 1 Receptors), useful for treating psychiatric and neurological diseases, including depression, anxiety and post trauma stress NEUROGEN CORPORATION (US) 2005-05-03 — — US disclosed
EP-1399428-A1 2,5-DIARYLPYRAZINES, 2,5-DIARYLPYRIDINES AND 2,5-DIARYLPYRIMIDINES AS CRF1 RECEPTOR MODULATORS Neurogen Corporation (US) 2004-03-24 — — EP disclosed
US-20030119844-A1 2,5-diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylpyrimidines NEUROGEN CORPORATION 2003-06-26 — — US disclosed
WO-2002100838-A1 2,5-DIARYLPYRAZINES, 2,5-DIARYLPYRIDINES AND 2,5-DIARYLPYRIMIDINES AS CRF1 RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2002-12-19 — — WO disclosed
US-20020052387-A1 5-Substituted 2-aryl-4-pyrimidinones NEUROGEN CORPORATION 2002-05-02 — — US disclosed
WO-2002006242-A2 5-SUBSTITUTED 2-ARYL-4-PYRIMIDINONES NEUROGEN CORPORATION (US) 2002-01-24 — — WO disclosed
EP-0256839-B1 SMOKING COMPOSITIONS CONTAINING A FLAVORANT ADDITIVE Philip Morris Products Inc. (US) 1991-11-06 — — EP disclosed
US-5017235-A Smoking compositions containing a 2,5-diacylpyrazine flavorant additive PHILIP MORRIS INC. (US) 1991-05-21 — — US disclosed
US-5017235-A Smoking compositions containing a 2,5-diacylpyrazine flavorant additive PHILIP MORRIS INC. (US) 1991-05-21 — — US disclosed
US-5017235-A Smoking compositions containing a 2,5-diacylpyrazine flavorant additive PHILIP MORRIS INC. (US) 1991-05-21 — — US disclosed
EP-0256839-A1 Smoking compositions containing a flavorant additive Philip Morris Products Inc. (US) 1988-02-24 — — EP disclosed
EP-0256839-A1 Smoking compositions containing a flavorant additive Philip Morris Products Inc. (US) 1988-02-24 — — EP 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-20030119844-A1 2,5-diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylpyrimidines CRHR2, CRHR1, CRH KCNH2 4424/4885TDP1 966/4885L3MBTL1 4409/4885
US-20050176721-A1 2,5-Diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylprimidines CRHR2, CRHR1, CRH KCNH2 4376/4885TDP1 1077/4885L3MBTL1 4490/4885
US-20020052387-A1 5-Substituted 2-aryl-4-pyrimidinones CRHR1, CRHR2, HTR4 KCNH2 4521/4885TDP1 2448/4885L3MBTL1 4238/4885
US-20050234051-A1 5-Substituted 2-aryl-4 pyrimidinones CRHR1, CRHR2, HTR4 KCNH2 4546/4885TDP1 2442/4885L3MBTL1 4027/4885

“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.