SCHEMBL3136744

SCHEMBL3136744

O=C1Cc2c(ccc(F)c2I)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.41
CMA1 P23946 1/20 0.41
GSK3B P49841 6/20 0.38
CCNB2 O95067 5/20 0.38
CDK1 P06493 5/20 0.38
CCNB1 P14635 5/20 0.38
CDK5 Q00535 5/20 0.38
CDK5R1 Q15078 5/20 0.38
CCNB3 Q8WWL7 5/20 0.38
PDK2 Q15119 1/20 0.37
TDP2 O95551 1/20 0.35
DRD2 P14416 3/20 0.35
DRD4 P21917 3/20 0.35
DRD3 P35462 3/20 0.35
HDAC3 O15379 1/20 0.35
PGR P06401 1/20 0.34
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34

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
SCHEMBL2076100 0.81 AHR (0.43) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL8545481 0.78 AHR (0.49) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL31414332 0.78 AHR (0.49) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL19235316 0.78 AHR (0.41) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL18289479 0.77 AHR (0.50) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL261277 0.73 AHR (0.48) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL29622013 0.73 AHR (0.48) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL6970909 0.73 GSK3B (0.40) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL12064441 0.71 DRD2 (0.44) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL4409544 0.70 CCNB2 (0.38) AHRCMA1GSK3BCCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1147486-C 4-and 5-alkynyloxindoles and 4-and 5-alkenyloxindoles - 2004-04-28 CN claimed
CN-1138773-C 4-alkenyl (and alkynyl) oxindoles as inhibitors of cell cycle protein dependent kinases, in particular CDK2 - 2004-02-18 CN claimed
EP-1157019-B1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 HOFFMANN LA ROCHE (CH) 2003-03-19 EP claimed
CN-1331689-A 4-and 5-alkynyloxindoles and 4-and 5-alkenyloxindoles HOFFMANN LA ROCHE (CH) 2002-01-16 CN claimed
CN-1330647-A 4-alkenyl (and alkynyl) oxindoles as inhibitors of cell cycle protein dependent kinases, in particular CDK2 HOFFMANN LA ROCHE (CH) 2002-01-09 CN claimed
US-6313310-B1 JUN N-TERMINAL KINASE (JNK) ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS; RHEUMATIC ARTHRITIS AND NEURO-DEGENERATIVE DISEASE TREATMENT HOFFMANN-LA ROCHE INC. 2001-11-06 US claimed
US-6303793-B1 INTERMEDIATES FOR CYCLIN-DEPENDENT KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2001-10-16 US claimed
US-20130303518-A1 Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2013-11-14 US disclosed
US-20130303518-A1 Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2013-11-14 US disclosed
US-20130303518-A1 Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2013-11-14 US disclosed
US-8329682-B2 Pyrrolo-nitrogenous heterocyclic derivatives, the preparation and the pharmaceutical use thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-12-11 US disclosed
US-8329682-B2 Pyrrolo-nitrogenous heterocyclic derivatives, the preparation and the pharmaceutical use thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-12-11 US disclosed
US-8329682-B2 Pyrrolo-nitrogenous heterocyclic derivatives, the preparation and the pharmaceutical use thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-12-11 US disclosed
US-6313310-B1 JUN N-TERMINAL KINASE (JNK) ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS; RHEUMATIC ARTHRITIS AND NEURO-DEGENERATIVE DISEASE TREATMENT HOFFMANN-LA ROCHE INC. 2001-11-06 US disclosed
EP-1149092-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6307056-B1 INHIBIT OR MODULATE PROTEIN KINASES, IN PARTICULAR JNK PROTEIN KINASES. HOFFMAN-LA ROCHE INC. 2001-10-23 US disclosed
US-6303793-B1 INTERMEDIATES FOR CYCLIN-DEPENDENT KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2001-10-16 US disclosed
US-6252086-B1 CYCLIN-DEPENDENT KINASES INHIBITORS; ANTICANCER AGENTS HOFFMANN-LA ROCHE INC. 2001-06-26 US disclosed
US-6130239-A INHIBIT CYCLIN-DEPENDENT KINASES HOFFMANN-LA ROCHE INC. (US) 2000-10-10 US disclosed
WO-2000035906-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 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 (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-20130303518-A1 Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder PRKACA, PACSIN2, PRKACB AHR 4803/4885CMA1 800/4885GSK3B 424/4885

“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.