SCHEMBL4595981

SCHEMBL4595981

O=C1CC(=O)c2cnccc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 10/20 0.50
▸ GSK3A P49840 9/20 0.50
▸ CDK5 Q00535 8/20 0.49
▸ CDK5R1 Q15078 8/20 0.49
▸ CCNB2 O95067 2/20 0.47
▸ CDK1 P06493 2/20 0.47
▸ CCNB1 P14635 2/20 0.47
▸ CCNB3 Q8WWL7 2/20 0.47
▸ CCNT1 O60563 1/20 0.47
▸ CCNT2 O60583 1/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CCNA1 P78396 1/20 0.47
▸ PDE3B Q13370 2/20 0.46
▸ PDE3A Q14432 2/20 0.46
▸ KDR P35968 6/20 0.46
▸ PLK1 P53350 5/20 0.46
▸ CYP1A2 P05177 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42

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
SCHEMBL658301 0.77 PDE3B (0.59) GSK3BGSK3ACDK5CDK5R1CCNB2
Bromide SCHEMBL15650437 0.76 PDE3B (0.57) GSK3BGSK3ACDK5CDK5R1CCNB2
SCHEMBL3663375 0.75 MAOA (0.41) GSK3BGSK3ACDK5CDK5R1PDE3B
SCHEMBL29526300 0.73 PDE3B (0.54) GSK3BGSK3ACDK5CDK5R1CCNB2
SCHEMBL477609 0.73 PDE3B (0.54) GSK3BGSK3ACDK5CDK5R1CCNB2
SCHEMBL1050699 0.72 AHR (0.57) GSK3BGSK3ACDK5CDK5R1CCNB2
Hydrochloric Acid SCHEMBL2362200 0.72 PDE3B (0.53) GSK3BGSK3ACDK5CDK5R1CCNB2
SCHEMBL22774228 0.72 MEN1 (0.47) GSK3BGSK3ACDK5CDK1CDK2
SCHEMBL10961406 0.71 MEN1 (0.56) GSK3BGSK3ACDK5CDK5R1CCNB2
SCHEMBL20718539 0.71 MAOA (0.50) PDE3BPDE3ACYP1A2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49481-E1 Compounds for the treatment and prophylaxis of respiratory syncytial virus disease HOFFMANN-LA ROCHE INC. (US) 2023-04-04 — — US disclosed
US-RE49481-E1 Compounds for the treatment and prophylaxis of respiratory syncytial virus disease HOFFMANN-LA ROCHE INC. (US) 2023-04-04 — — US disclosed
EP-2742039-B1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2015-09-16 — — EP disclosed
EP-2742039-B1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2015-09-16 — — EP disclosed
US-8871756-B2 Compounds for the treatment and prophylaxis of Respiratory Syncytial Virus disease HOFFMANN-LA ROCHE INC. (US) 2014-10-28 — — US disclosed
US-8871756-B2 Compounds for the treatment and prophylaxis of Respiratory Syncytial Virus disease HOFFMANN-LA ROCHE INC. (US) 2014-10-28 — — US disclosed
EP-2742039-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE F. Hoffmann-La Roche AG (CH) 2014-06-18 — — EP disclosed
US-20130196974-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE HOFFMANN-LA ROCHE INC. 2013-08-01 — — US disclosed
US-20130196974-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE HOFFMANN-LA ROCHE INC. 2013-08-01 — — US disclosed
US-20130196974-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE HOFFMANN-LA ROCHE INC. 2013-08-01 — — US disclosed
US-20130109693-A1 DERIVATIVES OF PYRIDO [3,2-D] PYRIMIDINE, METHODS FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF UNIVERSITE D'ORLEANS (FR) 2013-05-02 — — US disclosed
WO-2013020993-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-14 — — WO disclosed
WO-2013020993-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-14 — — WO disclosed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 — — WO disclosed
US-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 — — 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 (2 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-20130196974-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE CFTR, H1-10, RECQL GSK3B 3871/4885GSK3A 3934/4885CDK5 4511/4885
US-20130109693-A1 DERIVATIVES OF PYRIDO [3,2-D] PYRIMIDINE, METHODS FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, CYP2D6, TYMS GSK3B 2335/4885GSK3A 2889/4885CDK5 311/4885

“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.

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