SCHEMBL1127976

SCHEMBL1127976

O=C1C=C(c2cn(-c3cccnc3)c3ccccc23)C(=O)N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.56
PRKCB P05771 3/20 0.56
PRKCA P17252 3/20 0.56
PRKCG P05129 2/20 0.48
PRKCZ Q05513 1/20 0.48
PRKCD Q05655 1/20 0.48
KCNH2 Q12809 1/20 0.48
DYRK1A Q13627 1/20 0.40
HTT P42858 1/20 0.40
CAMK2D Q13557 1/20 0.39
HTR3A P46098 7/20 0.39
HTR7 P34969 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
CCNT1 O60563 1/20 0.36
PIM1 P11309 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36

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
SCHEMBL3774109 0.91 GSK3B (0.66) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL3600677 0.87 KDM4E (0.46) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL6344338 0.85 GSK3B (0.41) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL6347654 0.82 GSK3B (0.41) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL4848432 0.79 CDK2 (0.39) GSK3BPRKCBPRKCAPRKCGHTT
SCHEMBL6344642 0.79 PRKCB (0.49) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL6069262 0.78 GSK3B (0.71) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL4682932 0.75 GSK3B (0.67) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL13670446 0.74 GSK3B (0.65) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL4740834 0.74 GSK3B (0.65) GSK3BPRKCBPRKCAPRKCGPRKCZ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845460-B2 Treatment of pluripotent cells JANSSEN BIOTECH, INC. (US) 2017-12-19 US disclosed
US-20140080210-A1 Treatment of Pluripotent Cells JANSSEN BIOTECH, INC. (US) 2014-03-20 US disclosed
US-8623648-B2 Treatment of pluripotent cells JANSSEN BIOTECH, INC. (US) 2014-01-07 US disclosed
EP-2283114-A2 TREATMENT OF PLURIPOTENT CELLS Centocor Ortho Biotech Inc. (US) 2011-02-16 EP disclosed
US-20090325293-A1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH, INC. 2009-12-31 US disclosed
US-7329657-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-02-12 US disclosed
US-7304060-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-12-04 US disclosed
US-6849643-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-02-01 US disclosed
US-20050004202-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ZHANG HAN-CHENG (US) 2005-01-06 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 (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-20050004202-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP2K3 GSK3B 601/4885PRKCB 40/4885PRKCA 43/4885

“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.