Sugi Predict

Sugi Predict / Compounds / SCHEMBL7449046

SCHEMBL7449046

SCHEMBL7449046

O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc4c(c3)OCO4)N2C(=O)CN1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 12/20 1.00
▸ ACHE P22303 4/20 0.78
▸ PDE11A Q9HCR9 5/20 0.78
▸ PDE6D O43924 5/20 0.76
▸ PDE6A P16499 5/20 0.76
▸ PDE6G P18545 5/20 0.76
▸ PDE6B P35913 5/20 0.76
▸ PDE6C P51160 5/20 0.76
▸ PDE6H Q13956 5/20 0.76
▸ NR1I2 O75469 1/20 0.74
▸ PDE4A P27815 1/20 0.74
▸ MAPK1 P28482 1/20 0.74
▸ SLC6A4 P31645 1/20 0.74
▸ PDE4B Q07343 1/20 0.74
▸ PDE4C Q08493 1/20 0.74
▸ PDE4D Q08499 1/20 0.74
▸ KCNH2 Q12809 1/20 0.74
▸ NR2E1 Q9Y466 1/20 0.74

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
SCHEMBL7689505 1.00 PDE5A (1.00) PDE5AACHEPDE11APDE6DPDE6A
SCHEMBL7689509 1.00 PDE5A (1.00) PDE5AACHEPDE11APDE6DPDE6A
SCHEMBL7442714 0.95 PDE5A (0.91) PDE5AACHEPDE11APDE6DPDE6A
SCHEMBL2851411 0.94 PDE5A (0.88) PDE5AACHEPDE11APDE6DPDE6A
SCHEMBL6783325 0.94 PDE5A (0.88) PDE5AACHEPDE11APDE6DPDE6A
SCHEMBL1922041 0.94 PDE5A (0.88) PDE5AACHEPDE11APDE6DPDE6A
SCHEMBL6783323 0.94 PDE5A (0.88) PDE5AACHEPDE11APDE6DPDE6A
SCHEMBL6506476 0.94 PDE5A (0.88) PDE5AACHEPDE11APDE6DPDE6A
SCHEMBL6783320 0.94 PDE5A (0.88) PDE5AACHEPDE11APDE6DPDE6A
SCHEMBL1326458 0.94 PDE5A (0.88) PDE5AACHEPDE11APDE6DPDE6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020035111-A1 Method of inhibiting neoplastic cells with tetracyclic pyrido[3,4-B] indole derivatives OSI PHARMACEUTICALS, INC. 2002-03-21 — — US disclosed
US-6143746-A Combination of tadalafil and another drug for cGMP-specific PDE inhibition; erectile dysfunction, cardiovascular disorders ICOS CORPORATION (US) 2000-11-07 — — US disclosed
US-6127542-A CHEMICAL INTERMEDIATES TO SPECIFIED PYRAZINO(2',1':6,1)PYRIDO(3,4B)INDOLE-1,4-DIONES WHICH ARE SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE; TO TREAT CARDIOVASCULAR DISORDERS ICOS CORPORATION (US) 2000-10-03 — — US disclosed
US-6025494-A CYCLIZATION OF DICARBONYL-SUBSTITUTED PYRIDOINDOLES YIELDS PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2000-02-15 — — US disclosed
EP-0740668-B1 TETRACYCLIC DERIVATIVES, PROCESS OF PREPARATION AND USE ICOS CORP (US) 1998-07-29 — — 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 (1 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-20020035111-A1 Method of inhibiting neoplastic cells with tetracyclic pyrido[3,4-B] indole derivatives MKI67, PNPO, CDK4 PDE5A 4371/4885ACHE 3062/4885PDE11A 4440/4885

“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.